 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_wB97XD-def2SVPDr.in
 Output=15_2carene_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/15_2carene_STD/Gau-112348.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    112349.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=15_2carene_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:54:14 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "15_2carene_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:54:14 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Fri Jul 23 17:54:14 2021, MaxMem= 10737418240 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0191432434 Hartrees.
 Nuclear repulsion after empirical dispersion term =      548.8148234238 Hartrees.
 Leave Link  301 at Fri Jul 23 17:54:15 2021, MaxMem= 10737418240 cpu:               8.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.50D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 23 17:54:16 2021, MaxMem= 10737418240 cpu:               4.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:54:16 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:54:16 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737166926 LenY= 10737045381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.291683489395    
 DIIS: error= 3.16D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.291683489395     IErMin= 1 ErrMin= 3.16D-03
 ErrMax= 3.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.64D-03 BMatP= 8.64D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.16D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 GapD=    0.385 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.20D-03 MaxDP=3.87D-01              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.38D-03    CP:  1.18D+00
 E= -390.299057175436     Delta-E=       -0.007373686042 Rises=F Damp=F
 DIIS: error= 4.34D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.299057175436     IErMin= 2 ErrMin= 4.34D-04
 ErrMax= 4.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-04 BMatP= 8.64D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.34D-03
 Coeff-Com: -0.566D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.563D-01 0.106D+01
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=1.16D-03 MaxDP=5.54D-02 DE=-7.37D-03 OVMax= 5.08D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.00D-04    CP:  1.21D+00  1.13D+00
 E= -390.299308472493     Delta-E=       -0.000251297057 Rises=F Damp=F
 DIIS: error= 2.26D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.299308472493     IErMin= 3 ErrMin= 2.26D-04
 ErrMax= 2.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-05 BMatP= 1.40D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.26D-03
 Coeff-Com: -0.363D-01 0.354D+00 0.682D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.362D-01 0.353D+00 0.683D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=8.37D-05 MaxDP=2.95D-03 DE=-2.51D-04 OVMax= 9.93D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.63D-05    CP:  1.20D+00  1.13D+00  1.05D+00
 E= -390.299352164789     Delta-E=       -0.000043692296 Rises=F Damp=F
 DIIS: error= 5.62D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.299352164789     IErMin= 4 ErrMin= 5.62D-05
 ErrMax= 5.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-06 BMatP= 4.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-02-0.313D-01 0.132D+00 0.902D+00
 Coeff:     -0.222D-02-0.313D-01 0.132D+00 0.902D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.48D-05 MaxDP=2.05D-03 DE=-4.37D-05 OVMax= 5.63D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.85D-05    CP:  1.21D+00  1.13D+00  1.08D+00  8.77D-01
 E= -390.299355461286     Delta-E=       -0.000003296497 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.299355461286     IErMin= 5 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-07 BMatP= 2.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-02-0.312D-01-0.298D-02 0.308D+00 0.725D+00
 Coeff:      0.137D-02-0.312D-01-0.298D-02 0.308D+00 0.725D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.09D-05 MaxDP=3.84D-04 DE=-3.30D-06 OVMax= 2.17D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.13D-06    CP:  1.20D+00  1.13D+00  1.09D+00  9.24D-01  8.69D-01
 E= -390.299355819545     Delta-E=       -0.000000358260 Rises=F Damp=F
 DIIS: error= 3.42D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.299355819545     IErMin= 6 ErrMin= 3.42D-06
 ErrMax= 3.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-08 BMatP= 3.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.614D-03-0.925D-02-0.965D-02 0.541D-01 0.248D+00 0.717D+00
 Coeff:      0.614D-03-0.925D-02-0.965D-02 0.541D-01 0.248D+00 0.717D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=2.71D-06 MaxDP=1.20D-04 DE=-3.58D-07 OVMax= 6.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.06D-06    CP:  1.20D+00  1.13D+00  1.09D+00  9.26D-01  8.84D-01
                    CP:  1.11D+00
 E= -390.299355845542     Delta-E=       -0.000000025996 Rises=F Damp=F
 DIIS: error= 1.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.299355845542     IErMin= 7 ErrMin= 1.30D-06
 ErrMax= 1.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-09 BMatP= 2.25D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.377D-04 0.523D-03-0.237D-02-0.145D-01-0.266D-02 0.188D+00
 Coeff-Com:  0.831D+00
 Coeff:      0.377D-04 0.523D-03-0.237D-02-0.145D-01-0.266D-02 0.188D+00
 Coeff:      0.831D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=2.62D-05 DE=-2.60D-08 OVMax= 3.96D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.88D-07    CP:  1.20D+00  1.13D+00  1.09D+00  9.24D-01  8.97D-01
                    CP:  1.19D+00  1.09D+00
 E= -390.299355848410     Delta-E=       -0.000000002868 Rises=F Damp=F
 DIIS: error= 6.39D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.299355848410     IErMin= 8 ErrMin= 6.39D-07
 ErrMax= 6.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-10 BMatP= 1.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.681D-04 0.153D-02 0.231D-03-0.143D-01-0.356D-01-0.182D-01
 Coeff-Com:  0.380D+00 0.687D+00
 Coeff:     -0.681D-04 0.153D-02 0.231D-03-0.143D-01-0.356D-01-0.182D-01
 Coeff:      0.380D+00 0.687D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.27D-07 MaxDP=1.12D-05 DE=-2.87D-09 OVMax= 1.11D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.73D-07    CP:  1.20D+00  1.13D+00  1.09D+00  9.24D-01  8.97D-01
                    CP:  1.21D+00  1.20D+00  1.15D+00
 E= -390.299355849100     Delta-E=       -0.000000000691 Rises=F Damp=F
 DIIS: error= 1.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.299355849100     IErMin= 9 ErrMin= 1.62D-07
 ErrMax= 1.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-11 BMatP= 4.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.183D-04 0.282D-03 0.252D-03-0.180D-02-0.693D-02-0.234D-01
 Coeff-Com:  0.680D-02 0.137D+00 0.888D+00
 Coeff:     -0.183D-04 0.282D-03 0.252D-03-0.180D-02-0.693D-02-0.234D-01
 Coeff:      0.680D-02 0.137D+00 0.888D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.99D-07 MaxDP=9.22D-06 DE=-6.91D-10 OVMax= 5.18D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.29D-08    CP:  1.20D+00  1.13D+00  1.09D+00  9.24D-01  8.96D-01
                    CP:  1.22D+00  1.23D+00  1.27D+00  1.25D+00
 E= -390.299355849121     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 4.32D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.299355849121     IErMin=10 ErrMin= 4.32D-08
 ErrMax= 4.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-12 BMatP= 1.66D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.193D-05-0.808D-04 0.394D-04 0.951D-03 0.202D-02-0.407D-02
 Coeff-Com: -0.350D-01-0.470D-01 0.220D+00 0.863D+00
 Coeff:      0.193D-05-0.808D-04 0.394D-04 0.951D-03 0.202D-02-0.407D-02
 Coeff:     -0.350D-01-0.470D-01 0.220D+00 0.863D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=8.07D-08 MaxDP=3.95D-06 DE=-2.07D-11 OVMax= 1.35D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.00D-08    CP:  1.20D+00  1.13D+00  1.09D+00  9.24D-01  8.96D-01
                    CP:  1.22D+00  1.24D+00  1.32D+00  1.36D+00  1.15D+00
 E= -390.299355849117     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.53D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.299355849121     IErMin=11 ErrMin= 1.53D-08
 ErrMax= 1.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-13 BMatP= 2.47D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.242D-05-0.528D-04-0.993D-05 0.466D-03 0.135D-02 0.115D-02
 Coeff-Com: -0.976D-02-0.295D-01-0.153D-01 0.232D+00 0.819D+00
 Coeff:      0.242D-05-0.528D-04-0.993D-05 0.466D-03 0.135D-02 0.115D-02
 Coeff:     -0.976D-02-0.295D-01-0.153D-01 0.232D+00 0.819D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.92D-08 MaxDP=9.53D-07 DE= 3.98D-12 OVMax= 4.70D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.58D-09    CP:  1.20D+00  1.13D+00  1.09D+00  9.24D-01  8.96D-01
                    CP:  1.22D+00  1.24D+00  1.33D+00  1.39D+00  1.25D+00
                    CP:  1.13D+00
 E= -390.299355849126     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 5.47D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -390.299355849126     IErMin=12 ErrMin= 5.47D-09
 ErrMax= 5.47D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-14 BMatP= 2.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.354D-06-0.333D-05-0.470D-05-0.115D-05 0.748D-04 0.559D-03
 Coeff-Com:  0.192D-02-0.222D-02-0.236D-01-0.538D-01 0.177D+00 0.900D+00
 Coeff:      0.354D-06-0.333D-05-0.470D-05-0.115D-05 0.748D-04 0.559D-03
 Coeff:      0.192D-02-0.222D-02-0.236D-01-0.538D-01 0.177D+00 0.900D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=5.69D-09 MaxDP=2.41D-07 DE=-8.64D-12 OVMax= 1.52D-07

 SCF Done:  E(RwB97XD) =  -390.299355849     A.U. after   12 cycles
            NFock= 12  Conv=0.57D-08     -V/T= 2.0128
 KE= 3.853753941463D+02 PE=-1.998410389700D+03 EE= 6.739208162806D+02
 Leave Link  502 at Fri Jul 23 17:55:24 2021, MaxMem= 10737418240 cpu:            1074.0 elap:              67.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.47334314D+02

 Leave Link  801 at Fri Jul 23 17:55:24 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 3.83D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.32D-01 5.13D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 2.44D-02 6.15D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.69D-03 1.02D-02.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.19D-04 2.57D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 8.80D-06 4.55D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 2.51D-07 9.24D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 5.70D-09 1.16D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.32D-10 1.72D-06.
     11 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 2.81D-12 2.90D-07.
      8 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 4.34D-14 3.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.142588D+03
      2 -0.524963D+01  0.109719D+03
      3 -0.274018D+01  0.141617D+01  0.987388D+02
 Isotropic polarizability for W=    0.085645      117.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.400918D+02 -0.105176D+02  0.973039D+01
      2   0.574824D+01  0.967239D+01 -0.186287D+02
      3   0.343436D+02  0.845204D+00  0.889833D+01
      4  -0.333035D+02 -0.199178D+02 -0.891446D+01
      5   0.173386D+02 -0.114366D+02  0.298860D+02
      6   0.402807D+01 -0.279791D+01 -0.835532D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.446290D+01  0.507774D+00  0.174897D+01
      2   0.260727D+02 -0.570753D+01  0.823186D+01
      3  -0.194669D+02  0.101498D+02  0.826938D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.252214D+01  0.158308D+02  0.920052D+01
      2  -0.760817D+01 -0.129425D+02 -0.445757D+01
      3  -0.227859D+02  0.256660D+02  0.154647D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.650391D+00 -0.561728D+01  0.273131D+01
      2  -0.561728D+01 -0.133239D+01 -0.194435D+01
      3   0.273131D+01 -0.194435D+01 -0.121905D+01
 OR G Eigenvalues:    -6.0634    -2.6010     6.7634  Iso=     0.6337
 Eigenvectors:
   (1)   0.656454   0.751240  -0.068597
   (2)  -0.250051   0.302487   0.919770
   (3)   0.711718  -0.586634   0.386417
 w=    0.085645 a.u., Optical Rotation Beta=      0.6337 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      220.60 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 2.37D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.62D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.11D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 6.89D-02 3.19D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 3.19D-03 6.39D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 5.16D-05 9.55D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 8.56D-07 1.25D-04.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 9.71D-09 1.33D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 8.55D-11 1.27D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 6.48D-13 1.03D-07.
      8 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 5.55D-15 7.29D-09.
      6 vectors produced by pass  9 Test12= 3.06D-14 2.78D-09 XBig12= 4.97D-15 7.82D-09.
      2 vectors produced by pass 10 Test12= 3.06D-14 2.78D-09 XBig12= 2.11D-15 4.27D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.14D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.142588D+03 -0.524963D+01 -0.274018D+01
      2  -0.524963D+01  0.109719D+03  0.141617D+01
      3  -0.274018D+01  0.141617D+01  0.987388D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.446290D+01  0.507774D+00  0.174897D+01
      2   0.260727D+02 -0.570753D+01  0.823186D+01
      3  -0.194669D+02  0.101498D+02  0.826938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.400918D+02 -0.105176D+02  0.973039D+01
      2   0.574824D+01  0.967239D+01 -0.186287D+02
      3   0.343436D+02  0.845204D+00  0.889833D+01
      4  -0.333035D+02 -0.199178D+02 -0.891446D+01
      5   0.173386D+02 -0.114366D+02  0.298860D+02
      6   0.402807D+01 -0.279791D+01 -0.835532D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.225226D+02 -0.634761D+00 -0.149947D+01 -0.268688D+01 -0.175356D+01
      2  -0.634761D+00  0.481151D+00 -0.251577D+00 -0.175356D+01 -0.594187D+01
      3  -0.149947D+01 -0.251577D+00 -0.376031D+01  0.551343D+00 -0.137346D+01
                 6             7             8             9            10 
      1   0.551343D+00 -0.533302D+01 -0.201886D+01 -0.546454D+01 -0.272769D+01
      2  -0.137346D+01 -0.201886D+01  0.505282D+00  0.121337D+01  0.230420D+01
      3   0.734827D+00 -0.546454D+01  0.121337D+01  0.275828D+01 -0.278971D+00
                11            12            13            14            15 
      1   0.230420D+01 -0.278971D+00 -0.473129D+00 -0.195783D+01  0.742461D+00
      2  -0.108781D+01  0.285321D+01 -0.195783D+01  0.562905D+01  0.140868D+01
      3   0.285321D+01 -0.166456D+01  0.742461D+00  0.140868D+01  0.177149D+00
                16            17            18            19            20 
      1  -0.113250D+01  0.422816D+01 -0.115764D+01  0.264724D+02 -0.423012D+01
      2   0.422816D+01  0.215215D+01  0.323011D+00 -0.423012D+01  0.429254D+01
      3  -0.115764D+01  0.323011D+00  0.132601D+01 -0.228759D+01 -0.749532D-01
                21            22            23            24            25 
      1  -0.228759D+01 -0.637701D+01  0.464431D+01  0.812785D+00 -0.634320D+01
      2  -0.749532D-01  0.464431D+01  0.359117D+01  0.235536D+00 -0.561676D-01
      3   0.192641D+01  0.812785D+00  0.235536D+00 -0.229434D+01  0.429505D+01
                26            27            28            29            30 
      1  -0.561676D-01  0.429505D+01 -0.221740D+02  0.489318D+01  0.267948D+01
      2  -0.594704D+00 -0.313709D+01  0.489318D+01 -0.353209D+01 -0.842550D+00
      3  -0.313709D+01 -0.438852D+01  0.267948D+01 -0.842550D+00 -0.318145D+01
                31            32            33            34            35 
      1   0.986214D+01 -0.615509D+01 -0.668764D+00  0.675556D+01 -0.123359D+01
      2  -0.615509D+01  0.127561D+01  0.172887D+00 -0.123359D+01  0.848320D+00
      3  -0.668764D+00  0.172887D+00  0.190212D+01 -0.508793D+01  0.117089D+01
                36            37            38            39            40 
      1  -0.508793D+01  0.113252D+02 -0.296167D+01  0.836847D-01 -0.336113D+01
      2   0.117089D+01 -0.296167D+01 -0.175870D+00 -0.432799D+00  0.130255D+01
      3   0.238509D+01  0.836847D-01 -0.432799D+00  0.259559D+01 -0.460769D+00
                41            42            43            44            45 
      1   0.130255D+01 -0.460769D+00 -0.188761D+00 -0.212781D+00  0.613495D+01
      2   0.611309D+01  0.131726D+01 -0.212781D+00  0.161745D+01 -0.125704D+01
      3   0.131726D+01 -0.140378D+01  0.613495D+01 -0.125704D+01 -0.475732D+01
                46            47            48            49            50 
      1  -0.911696D+00 -0.325743D+01 -0.193747D+01 -0.491448D+01  0.455967D+01
      2  -0.325743D+01  0.192287D+01  0.116618D+00  0.455967D+01 -0.900409D+00
      3  -0.193747D+01  0.116618D+00  0.245935D+01 -0.282466D+00  0.633266D+00
                51            52            53            54            55 
      1  -0.282466D+00 -0.206664D+01 -0.777924D+00  0.440326D+01  0.210915D+01
      2   0.633266D+00 -0.777924D+00  0.228013D+01 -0.340892D+01  0.146535D+01
      3  -0.228987D+01  0.440326D+01 -0.340892D+01  0.190230D+01  0.113421D+01
                56            57            58            59            60 
      1   0.146535D+01  0.113421D+01  0.174777D+01 -0.786916D+00 -0.147617D+00
      2  -0.395643D+00  0.711971D-01 -0.786916D+00 -0.717451D+01 -0.780775D-01
      3   0.711971D-01 -0.958194D+00 -0.147617D+00 -0.780775D-01  0.125995D+01
                61            62            63            64            65 
      1   0.156362D+01  0.199688D+00 -0.103497D+01  0.131622D+02 -0.124091D+01
      2   0.199688D+00  0.529595D+00  0.511597D+00 -0.124091D+01  0.173284D+01
      3  -0.103497D+01  0.511597D+00 -0.492225D+01  0.434345D+01 -0.782751D+00
                66            67            68            69            70 
      1   0.434345D+01  0.227488D+01  0.557501D+01  0.588910D+00  0.119348D+02
      2  -0.782751D+00  0.557501D+01 -0.403348D+01  0.127523D+01 -0.211261D+00
      3   0.288655D+01  0.588910D+00  0.127523D+01  0.924985D+00  0.426926D+01
                71            72            73            74            75 
      1  -0.211261D+00  0.426926D+01  0.415063D+01 -0.102969D+01 -0.183759D+01
      2   0.173904D+00  0.886325D+00 -0.102969D+01  0.347305D+00  0.465524D+00
      3   0.886325D+00 -0.107665D+01 -0.183759D+01  0.465524D+00  0.228435D+01
                76            77            78            79            80 
      1  -0.282720D+01  0.273401D+00  0.234623D+00 -0.231488D+01  0.546576D+00
      2   0.273401D+00 -0.680200D+00 -0.138954D+01  0.546576D+00 -0.180040D+01
      3   0.234623D+00 -0.138954D+01 -0.205859D+01  0.292435D+01 -0.252613D+01
                81            82            83            84            85 
      1   0.292435D+01  0.279947D+01  0.142150D+01 -0.120133D+01  0.115364D+01
      2  -0.252613D+01  0.142150D+01  0.170936D+01 -0.143882D+01  0.138866D+01
      3  -0.802232D+01 -0.120133D+01 -0.143882D+01  0.169695D+01 -0.127388D+01
                86            87            88            89            90 
      1   0.138866D+01 -0.127388D+01 -0.187139D+01 -0.173414D+01  0.147675D+01
      2   0.410968D+01 -0.225240D+01 -0.173414D+01 -0.262185D+01  0.207766D+01
      3  -0.225240D+01  0.198465D+01  0.147675D+01  0.207766D+01 -0.282400D+01
                91            92            93            94            95 
      1   0.187028D+00 -0.143816D+01 -0.637288D+00 -0.174076D+01 -0.120804D+01
      2  -0.143816D+01 -0.103157D+01  0.134570D+00 -0.120804D+01 -0.100463D+02
      3  -0.637288D+00  0.134570D+00  0.193925D+00 -0.178789D-01 -0.168629D+01
                96            97            98            99           100 
      1  -0.178789D-01 -0.206667D+01  0.301772D+00 -0.645232D+00 -0.553933D+00
      2  -0.168629D+01  0.301772D+00 -0.711313D+00 -0.467942D+00 -0.671025D+00
      3  -0.115860D+01 -0.645232D+00 -0.467942D+00 -0.820414D-02 -0.351235D+00
               101           102           103           104           105 
      1  -0.671025D+00 -0.351235D+00 -0.266708D+01 -0.311619D+01 -0.816918D-01
      2  -0.399244D+00 -0.453275D-01 -0.311619D+01 -0.816325D+01 -0.474602D+00
      3  -0.453275D-01 -0.204354D+00 -0.816918D-01 -0.474602D+00 -0.107441D+01
               106           107           108           109           110 
      1  -0.842254D+00 -0.398130D+00 -0.754800D+00 -0.108982D+02  0.133251D+01
      2  -0.398130D+00 -0.103224D+01 -0.865429D+00  0.133251D+01 -0.110454D+01
      3  -0.754800D+00 -0.865429D+00 -0.304401D-01 -0.208297D+01  0.578152D+00
               111           112           113           114           115 
      1  -0.208297D+01  0.485694D+01 -0.150739D+01  0.600593D+00 -0.502376D+01
      2   0.578152D+00 -0.150739D+01  0.769285D+00 -0.846081D+00  0.560311D+00
      3  -0.174512D+01  0.600593D+00 -0.846081D+00  0.967167D+00 -0.304480D+01
               116           117           118           119           120 
      1   0.560311D+00 -0.304480D+01 -0.453287D+01  0.203618D+00  0.193324D+01
      2  -0.116767D+01  0.720784D+00  0.203618D+00 -0.181812D+00  0.559480D-01
      3   0.720784D+00 -0.129982D+01  0.193324D+01  0.559480D-01 -0.185275D+01
               121           122           123           124           125 
      1   0.220792D+01 -0.789613D+00 -0.595018D+00  0.569950D+01  0.558293D+00
      2  -0.789613D+00 -0.158870D+00  0.838694D+00  0.558293D+00  0.110701D+01
      3  -0.595018D+00  0.838694D+00  0.924394D+00 -0.490233D+01  0.325337D+00
               126           127           128           129           130 
      1  -0.490233D+01 -0.528537D+01  0.250253D+01  0.246654D+01  0.231833D+01
      2   0.325337D+00  0.250253D+01 -0.228782D+01 -0.101942D+01 -0.205573D+01
      3   0.717342D+01  0.246654D+01 -0.101942D+01 -0.177064D+01 -0.844728D+00
               131           132           133           134           135 
      1  -0.205573D+01 -0.844728D+00  0.390206D+01 -0.139228D+01 -0.282719D+01
      2   0.190324D+01  0.114737D+01 -0.139228D+01  0.173215D+01  0.205391D+01
      3   0.114737D+01  0.122206D+01 -0.282719D+01  0.205391D+01  0.253454D+01
               136           137           138           139           140 
      1  -0.218982D+01  0.199992D+01 -0.107697D+01  0.196249D+01 -0.211263D+01
      2   0.199992D+01 -0.162398D+01  0.649710D+00 -0.211263D+01  0.354805D+01
      3  -0.107697D+01  0.649710D+00 -0.118481D+01  0.976027D+00 -0.201804D+01
               141           142           143           144           145 
      1   0.976027D+00 -0.268224D+01  0.212057D+01 -0.295165D+01  0.126423D+00
      2  -0.201804D+01  0.212057D+01 -0.430072D+01  0.303865D+01 -0.291247D+00
      3   0.179307D+01 -0.295165D+01  0.303865D+01 -0.454304D+01  0.707534D+00
               146           147           148           149           150 
      1  -0.291247D+00  0.707534D+00 -0.878116D+00  0.619648D+00 -0.290487D+00
      2   0.360259D+00 -0.297589D-01  0.619648D+00  0.110967D+00  0.100391D+01
      3  -0.297589D-01  0.595608D+00 -0.290487D+00  0.100391D+01 -0.690718D+00
               151           152           153           154           155 
      1   0.157646D+01 -0.390912D+00  0.676825D+00  0.272865D+00  0.116139D+01
      2  -0.390912D+00  0.154786D+01  0.980363D+00  0.116139D+01  0.647583D+00
      3   0.676825D+00  0.980363D+00  0.691551D+01 -0.128978D+00  0.763891D-01
               156           157           158           159           160 
      1  -0.128978D+00  0.117341D+01  0.367883D+00  0.573311D-01 -0.508628D+00
      2   0.763891D-01  0.367883D+00  0.118409D+02  0.493632D+00  0.592354D-01
      3   0.192937D+00  0.573311D-01  0.493632D+00  0.868771D+00  0.139715D+00
               161           162           163           164           165 
      1   0.592354D-01  0.139715D+00  0.401033D+01  0.280043D+00 -0.303986D+01
      2  -0.938375D+00  0.108702D+01  0.280043D+00 -0.314028D+01 -0.492143D+00
      3   0.108702D+01  0.321233D+00 -0.303986D+01 -0.492143D+00 -0.179921D+01
               166           167           168           169           170 
      1  -0.986843D-01 -0.450910D+01 -0.836217D+00 -0.413498D+01 -0.643833D+00
      2  -0.450910D+01  0.531366D+01 -0.307654D+01 -0.643833D+00 -0.171173D+01
      3  -0.836217D+00 -0.307654D+01 -0.300128D+01 -0.256249D+01 -0.251187D+01
               171           172           173           174           175 
      1  -0.256249D+01 -0.238703D+01 -0.722096D+00 -0.337047D+01 -0.153524D+01
      2  -0.251187D+01 -0.722096D+00 -0.343185D+01 -0.891625D+00 -0.562890D+01
      3  -0.163021D+00 -0.337047D+01 -0.891625D+00 -0.118324D+01 -0.130239D+01
               176           177           178           179           180 
      1  -0.562890D+01 -0.130239D+01 -0.403911D+01 -0.130661D+01 -0.229608D+01
      2   0.489836D+01 -0.230869D+00 -0.130661D+01 -0.587960D+00 -0.281399D+01
      3  -0.230869D+00 -0.283162D+01 -0.229608D+01 -0.281399D+01  0.467929D+01
               181           182           183           184           185 
      1  -0.564129D+01 -0.293319D+00  0.122161D+01 -0.286684D+00 -0.297382D+00
      2  -0.293319D+00 -0.844825D+00  0.663421D+00 -0.297382D+00 -0.507957D+00
      3   0.122161D+01  0.663421D+00 -0.247654D+01  0.354037D+00  0.550816D+00
               186           187           188           189           190 
      1   0.354037D+00  0.129008D+01  0.291624D+00 -0.109030D+01  0.269451D+01
      2   0.550816D+00  0.291624D+00  0.526749D+00  0.640025D-01  0.748649D+00
      3   0.150913D+00 -0.109030D+01  0.640025D-01  0.145408D+01  0.262214D+01
               191           192           193           194           195 
      1   0.748649D+00  0.262214D+01  0.204739D+01  0.158600D+01  0.180710D+01
      2   0.127454D+01  0.595436D+00  0.158600D+01  0.132230D+01  0.182794D+01
      3   0.595436D+00  0.299163D+01  0.180710D+01  0.182794D+01  0.362920D+01
               196           197           198           199           200 
      1   0.208692D+01  0.782203D+00  0.280709D+01  0.163064D+01 -0.180600D+01
      2   0.782203D+00  0.133274D+01  0.156518D+01 -0.180600D+01  0.233840D+01
      3   0.280709D+01  0.156518D+01  0.531428D+01  0.121353D+01 -0.770058D+00
               201           202           203           204           205 
      1   0.121353D+01 -0.242930D+01  0.318289D+01 -0.105734D+01  0.456902D+00
      2  -0.770058D+00  0.318289D+01 -0.759519D+01  0.282915D+01 -0.265297D+00
      3   0.130674D+01 -0.105734D+01  0.282915D+01 -0.208425D+01  0.848436D+00
               206           207           208           209           210 
      1  -0.265297D+00  0.848436D+00  0.471322D+00  0.485445D+00 -0.878873D+00
      2   0.960672D+00 -0.970097D+00  0.485445D+00  0.409290D+00 -0.645271D-01
      3  -0.970097D+00  0.885189D+00 -0.878873D+00 -0.645271D-01  0.864697D+00
               211           212           213           214           215 
      1   0.121433D+01  0.987378D+00 -0.527669D+00 -0.274953D+01 -0.231501D+00
      2   0.987378D+00  0.383283D+00 -0.104081D+01 -0.231501D+00 -0.127404D+01
      3  -0.527669D+00 -0.104081D+01  0.189470D+01  0.266076D+01  0.146842D+01
               216           217           218           219           220 
      1   0.266076D+01  0.323804D+01 -0.208409D+01  0.187638D+00 -0.508439D+01
      2   0.146842D+01 -0.208409D+01  0.212879D+01  0.149251D+00  0.462326D+01
      3  -0.693791D+01  0.187638D+00  0.149251D+00  0.380980D+00  0.558264D+00
               221           222           223           224           225 
      1   0.462326D+01  0.558264D+00  0.905358D+00  0.583553D-01  0.957759D+00
      2  -0.710573D+01 -0.199422D+00  0.583553D-01  0.146435D+00 -0.624597D+00
      3  -0.199422D+00 -0.103843D+01  0.957759D+00 -0.624597D+00 -0.332340D+00
               226           227           228           229           230 
      1   0.717431D+01  0.186217D+01  0.201600D+01  0.454084D+01  0.276771D+01
      2   0.186217D+01  0.159242D+01  0.726882D+00  0.276771D+01  0.149917D+01
      3   0.201600D+01  0.726882D+00  0.140545D+01  0.110344D+01  0.931774D+00
               231           232           233           234 
      1   0.110344D+01  0.512628D+01  0.116650D+01  0.222576D+01
      2   0.931774D+00  0.116650D+01  0.128055D+01  0.109658D+01
      3   0.149192D+01  0.222576D+01  0.109658D+01  0.165662D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.245096D+01 -0.773410D+00 -0.209370D+01 -0.110431D+01  0.697320D+01
      2  -0.308168D+02  0.529735D+00 -0.320228D+01 -0.293845D+01 -0.418537D+01
      3   0.302583D+02 -0.510724D+01  0.145258D+01  0.179323D+02  0.888131D+01
                 6             7             8             9            10 
      1   0.299296D+00  0.812879D+00  0.425038D+01  0.227275D+01  0.136545D+01
      2   0.236567D-02 -0.208009D+02 -0.164294D+01 -0.543461D+01 -0.338109D+01
      3   0.299308D+01  0.107153D+02 -0.121175D+01  0.597032D+01 -0.674075D+01
                11            12            13            14            15 
      1  -0.287264D+01 -0.592902D+00 -0.651156D+00 -0.771369D+01 -0.424326D+01
      2   0.604664D+01  0.111568D+01 -0.700442D+00  0.169328D+01  0.143104D+01
      3  -0.293179D+01 -0.576724D+01  0.103664D+02 -0.135865D+02  0.173450D+00
                16            17            18            19            20 
      1  -0.162900D+01  0.324088D+01 -0.227446D+01  0.584836D+00  0.124115D-01
      2  -0.457491D+01  0.648903D+01  0.177047D+01  0.256193D+02 -0.299327D+01
      3  -0.123998D+02  0.320667D+00 -0.309483D+01 -0.469284D+02  0.121577D+02
                21            22            23            24            25 
      1   0.412966D+01  0.228074D+01 -0.385610D+01 -0.299431D+01  0.903155D+01
      2  -0.362018D+01 -0.764694D+01  0.463723D+01  0.227234D+01 -0.249439D+02
      3   0.287250D+01  0.238366D+02 -0.743270D+01 -0.351330D+01  0.116207D+02
                26            27            28            29            30 
      1   0.797103D+00 -0.343588D+01  0.471107D+00  0.826092D+00 -0.301757D+01
      2   0.342304D+01  0.864462D+01 -0.249552D+02  0.358539D+01  0.701399D+01
      3  -0.371838D+01 -0.106281D+02  0.419173D+02 -0.169568D+02 -0.574291D+01
                31            32            33            34            35 
      1   0.193059D+01  0.418932D+00  0.142880D+01 -0.743673D+01  0.102224D+02
      2   0.113543D+02 -0.363504D+01 -0.323569D+01  0.357511D+01 -0.286588D+01
      3  -0.176939D+02  0.823728D+01 -0.100708D+01 -0.143686D+02  0.169748D+01
                36            37            38            39            40 
      1   0.377235D+01 -0.501722D+00  0.158564D+00  0.119963D+01  0.815671D+00
      2  -0.620554D+01 -0.238207D+01  0.229217D+01 -0.818397D+01  0.338176D+01
      3   0.851075D+01 -0.224823D+02  0.102856D+01 -0.145479D+01  0.127583D+02
                41            42            43            44            45 
      1   0.296933D+01 -0.277374D+01  0.587744D+01  0.607474D+00 -0.492417D+01
      2  -0.536654D+01  0.531411D+01 -0.316829D+02  0.525910D+01  0.197612D+02
      3   0.218362D+02  0.541000D+01 -0.293256D+01  0.676824D+01 -0.110341D+02
                46            47            48            49            50 
      1   0.325058D+01  0.199803D+00 -0.431067D+01  0.168422D+01 -0.185053D+01
      2   0.629378D+01 -0.177952D+01 -0.386826D+01 -0.156698D+01 -0.194146D+00
      3  -0.941961D+01 -0.570879D+01 -0.469786D+01  0.946280D+01 -0.443382D+01
                51            52            53            54            55 
      1   0.211522D+01 -0.111586D+02  0.114834D+02 -0.198669D+01 -0.191885D+01
      2   0.454614D+01 -0.139535D+02  0.753595D+01 -0.229572D+01 -0.289571D+01
      3   0.254345D+01 -0.668080D+01  0.773118D+01 -0.272169D+01  0.909852D+01
                56            57            58            59            60 
      1  -0.840212D+00  0.238703D+01  0.301903D+00 -0.675479D+01 -0.497038D+01
      2  -0.451001D+00  0.161980D+01 -0.240129D+01  0.118538D+01 -0.678533D+00
      3   0.533245D+01  0.436790D+01  0.113308D+02 -0.493822D+01  0.455538D+00
                61            62            63            64            65 
      1   0.290970D+01  0.265253D+01  0.118679D+02 -0.284004D+00  0.239013D+01
      2  -0.185644D+01 -0.118664D+01  0.275645D+01  0.264631D+02 -0.240566D+01
      3   0.433787D+01 -0.104961D+00 -0.112641D+01 -0.718923D+01 -0.950318D+01
                66            67            68            69            70 
      1   0.182416D+01 -0.459549D+01  0.245915D+01 -0.434522D+01 -0.188604D+01
      2   0.116685D+02  0.612334D+01  0.386693D+01  0.332469D+01  0.885920D+01
      3   0.517996D-01 -0.135844D+02  0.795543D+01 -0.274067D+01 -0.944267D+01
                71            72            73            74            75 
      1   0.491797D+01 -0.282161D+00 -0.145902D+01 -0.461735D+00  0.127637D+01
      2   0.395541D+01 -0.476231D+00  0.498258D+01 -0.988685D+00  0.727026D+00
      3  -0.138949D+01 -0.551374D+01 -0.409347D+01 -0.910885D+00  0.107220D+01
                76            77            78            79            80 
      1   0.284722D+00  0.115328D+00 -0.546146D+00  0.195445D+01  0.338962D+01
      2  -0.392540D+01 -0.735814D+00 -0.131478D+01 -0.315946D+01 -0.945372D+00
      3   0.690949D+01 -0.456719D+00  0.375961D+00  0.150928D+01  0.172269D+01
                81            82            83            84            85 
      1  -0.238350D+01  0.516607D+00  0.720533D-02 -0.170269D+01  0.447649D+00
      2  -0.234096D+01  0.206370D+01 -0.794927D+00  0.208665D+01 -0.315634D+00
      3  -0.876349D+00  0.143468D+01 -0.174429D+01  0.415848D-01  0.351070D+01
                86            87            88            89            90 
      1  -0.119548D+01 -0.273103D+01 -0.907608D+00  0.635883D+00  0.279286D+01
      2  -0.110242D+01  0.123024D+01 -0.194996D+01  0.130297D+00 -0.216353D+01
      3  -0.382672D+01  0.114011D+01 -0.522069D+00  0.195526D+01  0.367930D-03
                91            92            93            94            95 
      1  -0.782313D+00  0.122212D+01 -0.413885D+00  0.102750D+01  0.598080D+01
      2   0.414251D+00 -0.133650D+01 -0.201269D+00 -0.174200D+01 -0.557300D+00
      3  -0.480144D+00 -0.587745D-01  0.100273D+01  0.454604D+01 -0.719807D+01
                96            97            98            99           100 
      1  -0.415543D+01 -0.380939D+01  0.100672D+01  0.978263D+00 -0.674439D+00
      2   0.150281D+01 -0.223735D+01 -0.369932D-01 -0.861395D+00  0.127393D+01
      3  -0.976143D+00  0.564165D+01 -0.906751D+00  0.595185D+00 -0.270879D+01
               101           102           103           104           105 
      1  -0.438110D+00 -0.137733D+00 -0.539726D+00 -0.209988D+01 -0.399242D+01
      2   0.343406D+00  0.142883D+01  0.202533D+00  0.164829D+01  0.424519D+01
      3  -0.222654D+01  0.357006D+00 -0.443711D+01 -0.263875D+02 -0.188558D+01
               106           107           108           109           110 
      1  -0.131628D+00 -0.154575D+00 -0.498154D+00 -0.348995D+00  0.857380D+00
      2   0.132808D+01  0.236212D+01  0.373665D-01  0.789575D+01 -0.204750D+01
      3  -0.176348D+00 -0.332110D+01 -0.183079D+01  0.148287D+02 -0.776588D+01
               111           112           113           114           115 
      1  -0.109058D+01  0.274066D+00 -0.902927D+00 -0.152671D+00 -0.136809D+01
      2   0.887994D+01 -0.311173D+01  0.305738D+01 -0.409457D+01  0.107799D+02
      3   0.408641D+01 -0.822190D+01  0.441498D+01 -0.362586D+01  0.630889D+01
               116           117           118           119           120 
      1   0.156197D+01 -0.801487D+00  0.206387D+01 -0.645018D+00 -0.171807D+01
      2  -0.284171D+01  0.505483D+01 -0.650210D+01 -0.564148D+00  0.769188D+01
      3  -0.591703D+01  0.531301D+01  0.613644D+01 -0.213240D+01 -0.205140D+01
               121           122           123           124           125 
      1  -0.891198D+00  0.100239D+01  0.470676D+00 -0.328860D+01  0.318255D+01
      2   0.181704D+01 -0.273279D+01 -0.362596D+01  0.163552D+02 -0.130487D+01
      3  -0.267891D+01  0.259535D+00  0.299500D+01 -0.400025D+01  0.475375D+01
               126           127           128           129           130 
      1   0.680644D+01 -0.438840D+01  0.100331D+01  0.377251D+01  0.982390D+00
      2  -0.270305D+02 -0.484666D+01  0.289273D+01  0.560786D+01  0.183232D+01
      3   0.615192D+01 -0.362143D+01 -0.439512D+01  0.151217D+01  0.680180D+00
               131           132           133           134           135 
      1  -0.139405D+01 -0.287483D+01  0.480930D+01 -0.142831D+01 -0.442069D+01
      2  -0.262245D+01 -0.331113D+01  0.394627D+01 -0.463188D+01 -0.636590D+01
      3   0.924890D+00  0.891589D+00  0.490060D+01  0.236758D+01  0.152320D+00
               136           137           138           139           140 
      1   0.168171D+01 -0.962978D+00  0.218820D+01 -0.106762D+01  0.204354D+01
      2   0.132603D+01 -0.613110D+00  0.352447D+01 -0.300236D+00  0.303192D+01
      3   0.122916D+01 -0.159087D+01  0.163825D+00 -0.541623D+00  0.664031D+01
               141           142           143           144           145 
      1  -0.444956D+01  0.573913D+01 -0.395500D+01  0.774306D+01 -0.267257D+01
      2  -0.387790D+01  0.384980D+01 -0.558613D+01  0.871126D+01 -0.833075D+00
      3  -0.287560D+01  0.422322D+00 -0.908328D+01  0.295560D+01 -0.904628D-01
               146           147           148           149           150 
      1   0.123908D+01 -0.196479D+01  0.174979D+01 -0.270146D+01  0.219130D+01
      2   0.667433D+00 -0.305949D+00  0.215038D+01 -0.202495D+01  0.110090D+01
      3  -0.268084D+01  0.168931D+01 -0.189940D+01  0.973159D+00  0.560040D-01
               151           152           153           154           155 
      1  -0.218843D+01  0.226131D+01 -0.152893D+02  0.937374D+00  0.373296D+00
      2  -0.420342D+01  0.195666D+00 -0.354150D+01  0.595015D+00 -0.542939D+00
      3   0.437323D+01 -0.583610D+00  0.125601D+01  0.801649D+00  0.138672D+01
               156           157           158           159           160 
      1  -0.557422D+00 -0.879056D-01  0.445693D+01 -0.457587D+01 -0.648115D+00
      2   0.910164D+00 -0.122094D+01 -0.790784D+00 -0.274970D+00 -0.599425D+00
      3  -0.825625D+00  0.704152D+01  0.510018D+01  0.224146D+00 -0.140987D+01
               161           162           163           164           165 
      1  -0.152311D+01 -0.263642D+00 -0.134725D+01 -0.669588D+01 -0.239928D+01
      2  -0.371932D+00 -0.536352D+00 -0.161663D+02 -0.239777D+01  0.677367D+01
      3  -0.646902D+00  0.110730D+01 -0.382280D+01  0.314883D+01  0.379394D+01
               166           167           168           169           170 
      1  -0.101997D+02  0.819676D+01 -0.115699D+02 -0.342658D+01 -0.471743D+01
      2  -0.382636D+01  0.165987D+01 -0.360773D+01 -0.147733D+00 -0.319625D+01
      3   0.101734D+02 -0.652548D+01  0.584214D+01  0.489320D+01  0.420022D+01
               171           172           173           174           175 
      1  -0.605372D+01 -0.105112D+01  0.102440D+01 -0.400666D+00  0.250235D+01
      2   0.157621D+01 -0.136723D+02 -0.344709D+01 -0.576371D+01 -0.490584D+01
      3   0.641598D+01  0.448978D+01  0.126818D+02  0.444084D+01  0.265861D+02
               176           177           178           179           180 
      1  -0.258714D+01 -0.247880D+01 -0.383129D+00  0.111102D+01  0.312495D+01
      2  -0.437830D+01 -0.110395D+02 -0.155501D+02 -0.104890D+02  0.162996D+02
      3  -0.160491D+02  0.129600D+01  0.666866D+01  0.195534D+01  0.111561D+02
               181           182           183           184           185 
      1   0.264312D+00 -0.261674D+01 -0.116388D+01 -0.161872D+01  0.585633D+00
      2   0.190074D+02  0.956446D+00 -0.413050D+01  0.820753D+00  0.203886D+01
      3   0.629292D+01 -0.275577D+00 -0.151428D+01  0.228147D+01  0.753292D+00
               186           187           188           189           190 
      1  -0.190376D+00 -0.818318D+00  0.183301D+01  0.979841D+00  0.367411D+01
      2  -0.386369D+00 -0.609960D+01 -0.455903D+00  0.364223D+01  0.572470D+00
      3  -0.717053D+00 -0.141598D+01 -0.160712D-01  0.797228D+00 -0.277641D+01
               191           192           193           194           195 
      1   0.408656D+01  0.333429D+01  0.436607D+01  0.531666D+01  0.493930D+01
      2  -0.435826D+00  0.297967D+01 -0.119575D+01  0.127434D+01  0.463499D+01
      3  -0.385586D+01 -0.295264D+01 -0.285934D+01 -0.405151D+01 -0.437463D+01
               196           197           198           199           200 
      1   0.411131D+01  0.595208D+01  0.703554D+01 -0.224262D+01  0.419873D+01
      2  -0.196980D+01  0.135189D+01  0.586842D+01 -0.392735D+00  0.120257D+01
      3  -0.204552D+01 -0.381066D+01 -0.467719D+01  0.148626D+01 -0.389892D+01
               201           202           203           204           205 
      1   0.906063D+00  0.533554D+01 -0.124387D+02  0.520253D+00 -0.141652D-01
      2   0.187919D+01  0.319759D+01  0.563740D+00 -0.326744D+01 -0.584377D+00
      3   0.742378D+00 -0.709922D+00  0.111718D+02 -0.411829D+01 -0.268518D+00
               206           207           208           209           210 
      1   0.233249D+01 -0.925624D+00 -0.599177D+00 -0.394006D+00  0.369444D+00
      2  -0.715173D+00  0.439061D+00 -0.318505D+01 -0.213104D-01  0.352272D+01
      3  -0.135458D+01  0.842040D+00 -0.171211D+01 -0.199118D+01  0.774114D+00
               211           212           213           214           215 
      1  -0.422046D+00 -0.106644D+01  0.216894D+00  0.757335D+00  0.383224D+01
      2  -0.300687D+00 -0.264774D+01  0.656245D+01  0.379868D+01  0.524892D+01
      3  -0.225703D+01 -0.191440D+01  0.367478D+01  0.112992D+01  0.530233D+01
               216           217           218           219           220 
      1  -0.259297D+01  0.945084D+00 -0.950033D+00  0.765681D+00 -0.115665D+01
      2  -0.228129D+02  0.206503D+01 -0.490421D+00  0.289446D+01 -0.384383D+00
      3  -0.624683D+01  0.587218D+01 -0.833801D+01 -0.707511D+00 -0.112788D+02
               221           222           223           224           225 
      1   0.323296D+01 -0.313227D+01  0.315925D+00  0.409217D+00  0.108575D+00
      2   0.171838D+01 -0.453758D+01  0.231904D+01 -0.162076D+01 -0.768680D+00
      3   0.242077D+02  0.204335D+00 -0.126990D+01 -0.515646D+00  0.145052D+01
               226           227           228           229           230 
      1   0.644623D-01  0.516810D-01 -0.589197D+00 -0.276779D+00  0.102130D+00
      2   0.100848D+02  0.350055D+01  0.832434D+01  0.560310D+01  0.459804D+01
      3  -0.915219D+01 -0.853102D+01 -0.341480D+01 -0.994786D+01 -0.718296D+01
               231           232           233           234 
      1  -0.137827D+01  0.147610D+00  0.966016D+00 -0.642362D+00
      2   0.708494D+01  0.819668D+01  0.456759D+01  0.764400D+01
      3  -0.381320D+01 -0.558873D+01 -0.619453D+01 -0.492462D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.313432D+01  0.694264D+00 -0.709355D+01  0.460216D+01 -0.396704D+01
      2   0.877159D+01 -0.219334D+01 -0.158953D+01 -0.244789D+01  0.595423D+01
      3  -0.119059D+02  0.149907D+01  0.868309D+01 -0.215427D+01 -0.198719D+01
      4   0.144767D+02  0.246774D+01 -0.159246D+01 -0.178460D+01 -0.102803D+01
      5   0.171029D+01 -0.297792D+01 -0.913843D+01  0.244327D+01 -0.171047D+01
      6  -0.187769D-01 -0.998285D+00  0.198450D+01  0.309744D+00  0.788911D+01
                 6             7             8             9            10 
      1   0.518681D+01 -0.215215D+02  0.824863D+00  0.914810D+01 -0.774853D+01
      2   0.288203D+00  0.311475D+00  0.370294D+01  0.680885D+01  0.548614D+01
      3  -0.547501D+01  0.212100D+02 -0.452780D+01 -0.159570D+02  0.226239D+01
      4  -0.151105D+01 -0.465646D+01  0.381021D+01  0.724178D+01  0.435781D+01
      5   0.240963D+01 -0.134651D+02  0.488172D+01  0.116374D+02  0.161299D+00
      6  -0.105618D+01  0.825051D+01 -0.195528D+01 -0.909059D+01  0.364469D+01
                11            12            13            14            15 
      1   0.809342D+01 -0.529323D+01  0.682899D+01 -0.107251D+02 -0.127938D+01
      2  -0.542424D+00  0.515768D+01 -0.246466D+01  0.127850D+02  0.341134D+01
      3  -0.755099D+01  0.135556D+00 -0.436434D+01 -0.205990D+01 -0.213196D+01
      4  -0.457107D+01  0.751747D+01 -0.667330D+01  0.196364D+01  0.680724D+01
      5   0.727675D+01 -0.453350D+01  0.185679D+01  0.442897D+01 -0.338859D+01
      6   0.457091D+01 -0.550350D+01  0.655250D+01  0.386977D+01 -0.363132D+01
                16            17            18            19            20 
      1  -0.770131D+01  0.675212D+01 -0.275157D+01 -0.509557D+02  0.133070D+02
      2   0.642988D+01 -0.172973D+01  0.145837D+01  0.194616D+02 -0.104123D+02
      3   0.127143D+01 -0.502239D+01  0.129320D+01  0.314941D+02 -0.289471D+01
      4   0.114165D+02  0.620189D+01 -0.362959D+01 -0.138410D+02 -0.694229D+01
      5  -0.551340D+01 -0.264976D+01  0.430086D+01 -0.146159D+01  0.145496D+01
      6  -0.533925D+01 -0.567478D+01  0.689139D+01  0.514741D+01 -0.151604D+01
                21            22            23            24            25 
      1   0.420397D+01  0.283657D+02  0.387810D+01 -0.286144D+01  0.177487D+02
      2  -0.546494D+00 -0.223605D+02 -0.185795D+02 -0.271766D+01 -0.334526D+00
      3  -0.365747D+01 -0.600527D+01  0.147014D+02  0.557910D+01 -0.174142D+02
      4   0.182366D+01 -0.175470D+01 -0.109276D+02 -0.130155D+01  0.320496D+01
      5  -0.169032D+01 -0.481668D+01 -0.267237D+01  0.227725D+01  0.111374D+01
      6  -0.488047D+01 -0.565495D+01 -0.731144D+01  0.549330D+01 -0.120761D+02
                26            27            28            29            30 
      1  -0.392877D+01 -0.248925D+02  0.671301D+02 -0.230141D+02 -0.139206D+02
      2  -0.496370D+01  0.133224D+01 -0.350605D+02  0.113958D+02  0.350113D+01
      3   0.889248D+01  0.235603D+02 -0.320697D+02  0.116183D+02  0.104194D+02
      4   0.419471D+01  0.218990D+01  0.260587D+01  0.505745D+01  0.149159D+01
      5   0.387484D+01  0.984530D+01 -0.160895D+01  0.340127D+01  0.101440D+02
      6   0.130481D+02  0.124717D+02 -0.479959D+01  0.664771D+01  0.508545D+01
                31            32            33            34            35 
      1  -0.237804D+02  0.916304D+01  0.248832D+01 -0.144249D+02  0.512126D+01
      2   0.923252D+01  0.396349D+01  0.113970D+01  0.402532D+01 -0.170132D+01
      3   0.145479D+02 -0.131265D+02 -0.362803D+01  0.103996D+02 -0.341994D+01
      4   0.131134D+02  0.217487D+01 -0.391778D+00  0.631468D+00  0.998390D+00
      5  -0.141764D+01  0.308967D+01 -0.432519D+01  0.245872D+02 -0.485120D+01
      6   0.636668D+01 -0.542234D+01 -0.311213D+01  0.610977D+01  0.199200D+01
                36            37            38            39            40 
      1   0.117101D+02 -0.584110D+02  0.225116D+02 -0.957619D+01  0.321410D+02
      2  -0.122447D+02  0.363679D+02 -0.126247D+02  0.278068D+01 -0.234222D+02
      3   0.534602D+00  0.220431D+02 -0.988683D+01  0.679551D+01 -0.871880D+01
      4  -0.442593D+00  0.108718D+02  0.279620D+01  0.354965D+01 -0.505379D+01
      5  -0.406637D+01 -0.130951D+02  0.363589D+01 -0.197270D+02  0.498162D+01
      6  -0.656366D+01  0.644640D+00 -0.274344D+00 -0.257195D+01 -0.897139D+00
                41            42            43            44            45 
      1   0.700562D+01  0.728038D+01 -0.164963D+02  0.719217D+01 -0.277755D+02
      2  -0.200418D+02 -0.487663D+01  0.109919D+01 -0.608565D+01  0.256268D+02
      3   0.130362D+02 -0.240375D+01  0.153971D+02 -0.110651D+01  0.214874D+01
      4  -0.371919D+02 -0.800335D+01  0.303628D+01 -0.909252D+01  0.324249D+01
      5  -0.100544D+02  0.104619D+02 -0.479508D+02  0.997806D+01  0.335915D+02
      6  -0.259051D+01  0.242720D+01 -0.743965D+01  0.192149D+01  0.713078D+01
                46            47            48            49            50 
      1   0.761408D+01  0.662008D+01  0.788825D+01  0.686815D+01 -0.120829D+02
      2  -0.535900D+01 -0.257067D+01 -0.361090D+01 -0.778021D+00  0.912618D+01
      3  -0.225508D+01 -0.404941D+01 -0.427734D+01 -0.609013D+01  0.295669D+01
      4   0.142145D+02 -0.147512D+02 -0.675524D+01 -0.231751D+02  0.663574D+01
      5   0.105487D+02 -0.474274D+01 -0.126127D+02  0.900432D+00 -0.346287D+01
      6  -0.864533D+01 -0.238584D+01  0.102387D+02 -0.524951D+01  0.874335D+01
                51            52            53            54            55 
      1  -0.110001D+01  0.806995D+01 -0.457142D+01 -0.604112D+01 -0.102896D+02
      2   0.191547D+01 -0.412512D+01  0.401565D+01  0.818195D+00  0.828265D+01
      3  -0.815451D+00 -0.394483D+01  0.555773D+00  0.522293D+01  0.200691D+01
      4  -0.142652D+01 -0.111127D+01 -0.870678D+01  0.213962D+02  0.753405D+00
      5   0.105977D+02 -0.236108D+02  0.186637D+02 -0.520538D+01 -0.102762D+01
      6  -0.102593D+02  0.190532D+02 -0.204539D+02  0.919045D+01  0.700760D+01
                56            57            58            59            60 
      1   0.181541D+01 -0.557705D+00 -0.215292D+01  0.278326D+02 -0.160926D+01
      2  -0.580883D+01  0.104979D+01 -0.637361D+00 -0.472014D+02 -0.132242D+01
      3   0.399342D+01 -0.492082D+00  0.279029D+01  0.193688D+02  0.293167D+01
      4   0.986486D+00  0.269954D+01  0.589035D+01  0.345619D+01 -0.632180D+00
      5   0.165390D+01  0.310756D+00 -0.732215D+00 -0.132770D+01 -0.159828D+00
      6  -0.808092D-01 -0.219867D+01 -0.338643D+00 -0.276710D+01  0.419785D+01
                61            62            63            64            65 
      1  -0.110777D+01 -0.183538D+01  0.106421D+02  0.489254D+01 -0.362913D+01
      2   0.818341D+00  0.539484D+01  0.682482D+01 -0.899976D+01  0.747118D+00
      3   0.289431D+00 -0.355946D+01 -0.174669D+02  0.410722D+01  0.288201D+01
      4  -0.287575D+00  0.329126D+00 -0.479698D+01 -0.792175D+01  0.742203D+01
      5   0.397534D+01 -0.161602D+01  0.567926D+00  0.156693D+02 -0.162910D+01
      6  -0.328032D+01  0.348556D+01 -0.153768D+02 -0.468528D+01  0.285592D+01
                66            67            68            69            70 
      1   0.153475D+02 -0.500299D+01  0.146398D+02 -0.119984D+01  0.216988D+02
      2  -0.967192D+01  0.172296D+01 -0.670442D+01 -0.928267D+00 -0.130714D+02
      3  -0.567561D+01  0.328004D+01 -0.793539D+01  0.212811D+01 -0.862741D+01
      4  -0.356764D+01  0.171348D+02 -0.144749D+02  0.292477D+01 -0.558188D+01
      5   0.960212D+01 -0.164341D+00  0.464298D+01  0.450167D+01  0.160515D+02
      6   0.295540D+00  0.644087D-01 -0.411822D+01  0.166399D+01 -0.304354D+01
                71            72            73            74            75 
      1  -0.211679D+01  0.528479D+01 -0.167450D+01 -0.276397D-01  0.380747D+01
      2  -0.879344D+00 -0.718712D+01 -0.512765D+01  0.140926D+01  0.415473D+01
      3   0.299613D+01  0.190233D+01  0.680215D+01 -0.138162D+01 -0.796220D+01
      4   0.120742D+01  0.276816D+01 -0.604260D+01  0.435435D+01  0.359113D+01
      5   0.412118D+01 -0.587873D+01 -0.803324D+01  0.333325D+01  0.120311D+02
      6   0.276775D+01  0.182055D+01  0.437549D+01 -0.227592D+01 -0.376036D+01
                76            77            78            79            80 
      1   0.343539D+01 -0.647742D+01 -0.681893D+01  0.559166D+01 -0.718851D+01
      2  -0.571073D+00  0.116199D+01 -0.306309D+00  0.585789D+01 -0.228273D+01
      3  -0.286431D+01  0.531543D+01  0.712524D+01 -0.114495D+02  0.947124D+01
      4   0.426240D+01 -0.201785D+01 -0.362029D+01  0.484644D+01 -0.403395D+01
      5   0.342040D+01 -0.370134D+01 -0.426352D+01  0.135453D+02 -0.581073D+01
      6  -0.251923D+01  0.556237D+01  0.974678D+01 -0.427026D+01  0.986734D+01
                81            82            83            84            85 
      1  -0.252136D+02  0.566949D+01 -0.162633D+01  0.815378D+00 -0.738909D+00
      2  -0.142803D+02 -0.182244D+01  0.277681D+01 -0.418070D+00  0.268991D+01
      3   0.394939D+02 -0.384705D+01 -0.115048D+01 -0.397308D+00 -0.195100D+01
      4  -0.719648D+01  0.106683D+02  0.116862D+02 -0.788619D+01  0.107663D+02
      5  -0.187453D+02 -0.686418D+01 -0.645660D+01  0.816455D+01 -0.544773D+01
      6   0.161001D+02 -0.745588D+01 -0.667701D+01  0.650053D+01 -0.675638D+01
                86            87            88            89            90 
      1  -0.103993D+02  0.484642D+01  0.164054D+00  0.487019D+01 -0.652019D+01
      2   0.134617D+02 -0.471635D+01 -0.213312D-01 -0.443588D+01  0.271108D+00
      3  -0.306243D+01 -0.130073D+00 -0.142723D+00 -0.434312D+00  0.624909D+01
      4   0.155451D+02 -0.897327D+01 -0.849775D+01 -0.972613D+01  0.967065D+01
      5  -0.726623D+01  0.588772D+01  0.764573D+01  0.711325D+01 -0.937372D+01
      6  -0.144124D+02  0.123773D+02  0.738166D+01  0.131571D+02 -0.134864D+02
                91            92            93            94            95 
      1  -0.288676D+01  0.690486D+00  0.188058D+01  0.158786D+01 -0.319976D+02
      2   0.408052D+01  0.297038D+01 -0.658321D+00  0.196076D+01  0.467184D+02
      3  -0.119376D+01 -0.366087D+01 -0.122226D+01 -0.354862D+01 -0.147208D+02
      4   0.283828D+01  0.961322D+01  0.126345D+01  0.896999D+01  0.192412D+02
      5   0.113532D+01  0.165921D+01  0.154013D+01  0.222104D+01  0.504014D+01
      6   0.369222D+01  0.539848D-01  0.272670D-01  0.119546D+01  0.155402D+02
                96            97            98            99           100 
      1  -0.676459D+01  0.328934D+01 -0.336275D+01 -0.101474D+01  0.415113D+01
      2   0.627854D+01 -0.322747D+01  0.355984D+01  0.297802D+01  0.766406D+00
      3   0.486049D+00 -0.618679D-01 -0.197088D+00 -0.196327D+01 -0.491754D+01
      4   0.319718D+01  0.142756D+01 -0.208801D+00  0.913665D+00  0.596477D+01
      5   0.309945D+01  0.223976D+01  0.105021D+01 -0.306077D+00  0.248385D+01
      6   0.937637D+01  0.321866D+01  0.498013D+01  0.140752D+01  0.759536D+00
               101           102           103           104           105 
      1   0.534493D+01  0.252732D+01  0.989995D+01 -0.696692D+01 -0.774106D+00
      2  -0.162772D+01 -0.961029D+00  0.380815D+01  0.305555D+02  0.186539D+01
      3  -0.371721D+01 -0.156630D+01 -0.137081D+02 -0.235886D+02 -0.109129D+01
      4   0.882966D+01  0.804416D+00  0.264292D+02  0.548863D+02  0.352686D+01
      5   0.205494D+00  0.284232D+01  0.902746D+00  0.447892D+01  0.807159D+01
      6   0.165038D+00  0.131998D+00  0.400444D+00  0.303270D+00  0.659080D+01
               106           107           108           109           110 
      1   0.470112D+01 -0.976345D+00  0.394508D+00  0.825929D+02 -0.119189D+02
      2  -0.106558D+01  0.286369D+01  0.542283D+00 -0.451513D+02  0.781368D+01
      3  -0.363554D+01 -0.188735D+01 -0.936790D+00 -0.374416D+02  0.410517D+01
      4   0.348878D+01  0.711010D+01  0.546301D+01 -0.117785D+01  0.102708D+02
      5   0.657847D+01  0.532137D+01  0.207084D+00  0.250923D+02 -0.474175D+01
      6   0.220154D+01  0.617685D+01  0.140465D+01  0.107517D+01 -0.131335D+00
               111           112           113           114           115 
      1   0.181686D+02 -0.344433D+02  0.982993D+01 -0.541439D+01  0.387403D+02
      2  -0.105800D+02  0.197044D+02 -0.406497D+01  0.392448D+01 -0.216320D+02
      3  -0.758858D+01  0.147389D+02 -0.576495D+01  0.148991D+01 -0.171083D+02
      4  -0.233104D+01  0.104633D+02 -0.598111D+01  0.594369D+01 -0.740999D+00
      5   0.176227D+02 -0.853400D+01  0.712006D+01 -0.807512D+01  0.299776D+02
      6   0.201985D+01  0.149955D+01 -0.474726D+00  0.626116D+00  0.267543D+01
               116           117           118           119           120 
      1  -0.528830D+01  0.179157D+02  0.261789D+02 -0.245731D+01 -0.109785D+02
      2   0.455846D+01 -0.142687D+02 -0.179310D+02  0.179736D+01  0.866668D+01
      3   0.729839D+00 -0.364703D+01 -0.824788D+01  0.659955D+00  0.231180D+01
      4   0.871091D+01 -0.259733D+01  0.319444D+01  0.324704D+01 -0.239557D+01
      5  -0.601284D+01  0.129838D+02 -0.150383D+02 -0.355505D+00  0.185656D+02
      6   0.117631D+01  0.194062D+00 -0.301225D+01 -0.660890D+00  0.306133D+01
               121           122           123           124           125 
      1  -0.133965D+02  0.123477D+01  0.228456D+01 -0.246023D+02 -0.169200D+01
      2   0.965063D+01 -0.539179D+00 -0.372694D+01  0.217341D+02 -0.120208D+01
      3   0.374585D+01 -0.695595D+00  0.144238D+01  0.286816D+01  0.289408D+01
      4   0.536461D+01  0.135031D+01 -0.557636D+01 -0.888106D+01 -0.947783D+01
      5   0.416674D+01 -0.565582D+01 -0.653641D+01  0.413030D+02 -0.222441D+01
      6  -0.169784D+01  0.217720D-01  0.300960D+01  0.758862D+01  0.419151D+01
               126           127           128           129           130 
      1   0.144736D+02  0.211594D+02 -0.608394D+01 -0.886355D+01 -0.476816D+01
      2  -0.250315D+02 -0.868316D+01 -0.389311D+00  0.454240D+01 -0.170896D+01
      3   0.105579D+02 -0.124762D+02  0.647325D+01  0.432116D+01  0.647712D+01
      4   0.195203D+01 -0.222939D+02  0.171054D+02  0.965851D+01  0.151576D+02
      5  -0.529039D+02 -0.167217D+02  0.669819D+01  0.125805D+02  0.542452D+01
      6  -0.110992D+02  0.876510D+01 -0.449812D+01 -0.690445D+01 -0.442320D+01
               131           132           133           134           135 
      1   0.151627D+01  0.329707D+00 -0.122771D+02  0.637832D+00  0.343225D+01
      2   0.411353D+01  0.202663D+01  0.691782D+01  0.202983D+01 -0.397391D+01
      3  -0.562980D+01 -0.235634D+01  0.535927D+01 -0.266767D+01  0.541667D+00
      4  -0.135129D+02 -0.725744D+01  0.143427D+02 -0.119806D+02 -0.134932D+02
      5  -0.659352D+01 -0.649502D+01  0.178123D+02 -0.110099D+02 -0.151150D+02
      6   0.586810D+01  0.710557D+01 -0.107613D+02  0.103704D+02  0.923693D+01
               136           137           138           139           140 
      1   0.581509D+01 -0.455106D+01  0.295415D+01 -0.129045D+01 -0.463370D+01
      2  -0.202926D+01  0.519566D+00 -0.209454D+01 -0.277038D+01  0.917039D+01
      3  -0.378583D+01  0.403149D+01 -0.859610D+00  0.406083D+01 -0.453669D+01
      4  -0.129957D+02  0.125215D+02 -0.552104D+01  0.136313D+02 -0.158032D+02
      5   0.735596D+01 -0.450663D+01  0.931115D+01 -0.492683D+01  0.927562D+01
      6  -0.587751D+01  0.424053D+01 -0.534076D+01  0.658237D+01 -0.130203D+02
               141           142           143           144           145 
      1   0.283653D+01  0.431848D+01  0.526602D+01 -0.239975D+01  0.508390D+00
      2  -0.418172D+01 -0.227506D+01 -0.655399D+01 -0.291546D+01 -0.371100D+01
      3   0.134519D+01 -0.204342D+01  0.128797D+01  0.531522D+01  0.320260D+01
      4   0.976544D+01 -0.143911D+02  0.188820D+02 -0.165076D+02  0.444504D+00
      5  -0.822927D+01  0.171506D+02 -0.148388D+02  0.201692D+02  0.119457D+01
      6   0.124831D+02 -0.143118D+02  0.197814D+02 -0.211537D+02  0.683184D+00
               146           147           148           149           150 
      1  -0.997376D+00 -0.940206D+00  0.170653D+00 -0.395729D+01 -0.798455D+00
      2   0.178859D+01 -0.658168D+00  0.139009D+01  0.270390D+01  0.398769D+01
      3  -0.791211D+00  0.159837D+01 -0.156075D+01  0.125338D+01 -0.318923D+01
      4   0.229466D+01  0.167688D+01 -0.539038D-01  0.138095D+00  0.179675D+00
      5  -0.528002D+00  0.537925D+01 -0.602551D+00  0.827009D+00 -0.253377D+00
      6   0.148273D+01  0.147351D+01  0.958647D+00  0.153282D+01  0.242756D+01
               151           152           153           154           155 
      1  -0.688671D+00 -0.703237D+01 -0.188231D+02 -0.147192D+01 -0.315623D+01
      2  -0.144696D+01  0.522603D+01 -0.887811D+01  0.614183D+01  0.464011D+01
      3   0.213563D+01  0.180634D+01  0.277012D+02 -0.466991D+01 -0.148388D+01
      4   0.354339D+01  0.391777D+00  0.235891D+01  0.803903D-01  0.962643D+01
      5   0.394921D+01 -0.644750D+00 -0.687187D+00  0.173763D+00  0.840663D+00
      6   0.111673D+01  0.859831D+01  0.221787D+02 -0.550751D+00  0.378879D+00
               156           157           158           159           160 
      1  -0.359760D+00 -0.164984D+01 -0.455604D+02 -0.252741D+01  0.598684D-01
      2  -0.165762D-01  0.162546D+01  0.762243D+02  0.257956D+01  0.115589D+00
      3   0.376336D+00  0.243794D-01 -0.306639D+02 -0.521425D-01 -0.175457D+00
      4  -0.229307D+00  0.777200D+01 -0.254581D+01 -0.933037D-01 -0.936987D+00
      5   0.141879D+01  0.290416D+00  0.706457D+00 -0.251619D+00  0.528521D+00
      6   0.831011D+00  0.246875D+00  0.651379D+01  0.801394D+01  0.689752D+00
               161           162           163           164           165 
      1   0.261470D+01 -0.578229D+01  0.202310D+02 -0.219633D+01 -0.549143D+01
      2  -0.508887D+01  0.558834D+01 -0.364123D+01  0.974162D+01  0.815545D+01
      3   0.247416D+01  0.193952D+00 -0.165897D+02 -0.754529D+01 -0.266401D+01
      4   0.676748D+00 -0.162910D-01 -0.537903D+01 -0.978964D+01  0.674745D+00
      5  -0.485612D+00  0.469512D-02 -0.238331D+01 -0.114930D+01 -0.147257D+02
      6   0.887214D+01  0.855344D+00  0.210308D+01 -0.109543D+02 -0.343299D+01
               166           167           168           169           170 
      1  -0.195988D+01 -0.154961D+01 -0.299808D+00 -0.734475D+01  0.124234D+01
      2   0.142545D+02 -0.560427D+01  0.148755D+02  0.101660D+02  0.106036D+02
      3  -0.122947D+02  0.715387D+01 -0.145757D+02 -0.282121D+01 -0.118459D+02
      4  -0.169453D+02  0.224606D+02 -0.122237D+02  0.304017D+00 -0.702406D+01
      5  -0.351843D+01 -0.186969D+02 -0.133639D+02 -0.202055D+02 -0.105699D+02
      6  -0.151296D+02  0.164875D+02 -0.920674D+01 -0.456213D+01 -0.536696D+01
               171           172           173           174           175 
      1  -0.111350D+02 -0.297303D+01 -0.985854D+01 -0.231583D+02 -0.154540D+02
      2   0.841858D+01 -0.209521D+01  0.914569D+01  0.106136D+02  0.154765D+02
      3   0.271644D+01  0.506824D+01  0.712849D+00  0.125446D+02 -0.225601D-01
      4  -0.789523D+01 -0.888150D+01 -0.249125D+02 -0.626880D+01 -0.410524D+02
      5  -0.744495D+01 -0.253134D+02 -0.641632D+01 -0.878564D+01 -0.101327D+02
      6  -0.128902D+02  0.239239D+00  0.190329D+01 -0.477005D+00  0.318418D+01
               176           177           178           179           180 
      1  -0.243126D+02 -0.993226D+01 -0.301897D+02 -0.989890D+01 -0.751108D+01
      2   0.399697D+01  0.217281D+01  0.109830D+02  0.173449D+01  0.130237D+02
      3   0.203156D+02  0.775945D+01  0.192067D+02  0.816442D+01 -0.551257D+01
      4   0.340869D+02 -0.285470D+01 -0.100219D+02 -0.427884D+01 -0.184198D+02
      5  -0.123295D+01 -0.181396D+02 -0.150217D+02 -0.178590D+02  0.287460D+02
      6  -0.412577D+01 -0.757750D+00 -0.158108D+01  0.147229D+01  0.153770D+01
               181           182           183           184           185 
      1  -0.134975D+02 -0.233276D+01  0.110556D+02 -0.583933D+00 -0.328784D+01
      2   0.424115D+01 -0.355651D-01  0.148209D+01 -0.128992D+01  0.302894D+01
      3   0.925639D+01  0.236832D+01 -0.125377D+02  0.187386D+01  0.258900D+00
      4   0.769645D+01  0.119486D+01 -0.798434D+00  0.334847D+01 -0.122307D+01
      5  -0.122454D+02  0.287320D+00  0.230578D+01  0.128834D+00  0.381869D+00
      6  -0.166516D+01 -0.423247D+01  0.537386D+01 -0.134375D+01 -0.229673D+01
               186           187           188           189           190 
      1   0.171577D+01  0.673312D+01  0.155361D+01 -0.637878D+01  0.713282D+01
      2  -0.254842D+01  0.484245D+00 -0.126612D+01 -0.276033D+01 -0.116302D+02
      3   0.832647D+00 -0.721736D+01 -0.287494D+00  0.913911D+01  0.449740D+01
      4   0.802785D+00 -0.109679D+01 -0.302639D+00  0.247468D+01  0.405520D+01
      5   0.237264D+01  0.640406D+01  0.162863D+01 -0.286038D+01  0.185182D+02
      6   0.334539D+01  0.281793D+01  0.293155D+01 -0.150381D+01  0.327972D+01
               191           192           193           194           195 
      1   0.304522D+01  0.274367D+01  0.488614D+01 -0.394268D+00 -0.325197D+01
      2  -0.494886D+01 -0.120258D+02 -0.918684D+01 -0.265627D+01 -0.112546D+02
      3   0.190364D+01  0.928209D+01  0.430069D+01  0.305054D+01  0.145066D+02
      4   0.627533D+01  0.233165D+01  0.769866D+01  0.541853D+01  0.749477D+01
      5   0.531187D+01  0.206273D+02  0.129952D+02  0.103615D+02  0.174549D+02
      6   0.585618D+01  0.273506D+01  0.737411D+01  0.745205D+01  0.959984D+01
               196           197           198           199           200 
      1   0.270688D+01 -0.151395D+01 -0.641877D+01  0.399584D+01 -0.296652D+01
      2  -0.120565D+02 -0.613737D+01 -0.197345D+02 -0.171244D+00 -0.323276D+01
      3   0.934961D+01  0.765132D+01  0.261533D+02 -0.382460D+01  0.619928D+01
      4   0.260124D+01  0.555950D+01  0.561562D+01 -0.114563D+02  0.146331D+02
      5   0.197167D+02  0.796834D+01  0.269967D+02  0.813278D+01 -0.720294D+01
      6   0.383902D+01  0.775712D+01  0.756863D+01 -0.640793D+01  0.899630D+01
               201           202           203           204           205 
      1   0.188447D-01 -0.271713D+01 -0.108317D+02  0.683027D+01 -0.840175D+00
      2  -0.193915D+01 -0.515876D+01  0.228705D+02 -0.450993D+01 -0.156031D+01
      3   0.192031D+01  0.787590D+01 -0.120388D+02 -0.232034D+01  0.240049D+01
      4  -0.487369D+01  0.183805D+02 -0.312378D+02  0.109039D+02 -0.155076D+01
      5   0.872836D+01 -0.944017D+01  0.144778D+02 -0.933135D+01  0.585216D+01
      6  -0.422837D+01  0.115879D+02 -0.276982D+02  0.158519D+02 -0.303581D+01
               206           207           208           209           210 
      1   0.357652D+01 -0.209943D+01  0.458498D+01  0.336628D+01 -0.560247D+01
      2  -0.873685D+00  0.105871D+00 -0.475338D+01 -0.230083D+01  0.451598D+01
      3  -0.270284D+01  0.199356D+01  0.168406D+00 -0.106545D+01  0.108650D+01
      4   0.389421D+01 -0.430166D+01  0.330430D+01  0.387045D+01 -0.108028D+01
      5  -0.430197D+01  0.516671D+01 -0.678658D+01 -0.158070D+01  0.105948D+02
      6   0.950440D+01 -0.531423D+01 -0.815858D+00 -0.379379D+00  0.211915D+00
               211           212           213           214           215 
      1   0.738913D+01  0.210354D+01  0.645893D+00 -0.134368D+02  0.133893D+01
      2  -0.531163D+01 -0.120293D+01  0.284442D+01  0.120743D+02  0.218849D+01
      3  -0.207750D+01 -0.900608D+00 -0.349032D+01  0.136248D+01 -0.352742D+01
      4   0.797406D+01  0.246466D+01 -0.669775D+01 -0.171933D+01 -0.896150D+01
      5  -0.466915D+01 -0.646335D+01  0.125784D+02  0.227525D+02  0.951100D+01
      6  -0.168394D+01 -0.224346D+01  0.465559D+01  0.540495D+00  0.484183D+01
               216           217           218           219           220 
      1   0.125083D+01  0.209732D+02 -0.124122D+02  0.139868D+01 -0.255778D+02
      2  -0.181492D+02 -0.611860D+01  0.261736D+01 -0.489117D+00  0.426384D+01
      3   0.168984D+02 -0.148546D+02  0.979481D+01 -0.909558D+00  0.213139D+02
      4   0.973547D+01 -0.179484D+02  0.209393D+02  0.148579D+01  0.384994D+02
      5  -0.457498D+02 -0.293590D+00  0.235662D+01  0.485387D+01  0.592278D+01
      6  -0.173140D+01  0.178575D+01 -0.191345D+01 -0.883905D+00 -0.401861D+01
               221           222           223           224           225 
      1   0.126515D+02  0.223058D+01  0.534680D+01  0.605821D+00  0.285285D+01
      2   0.104224D+02 -0.164772D+01 -0.164497D+01 -0.787870D+00 -0.131154D+01
      3  -0.230739D+02 -0.582867D+00 -0.370183D+01  0.182049D+00 -0.154131D+01
      4  -0.522375D+02 -0.138905D+01  0.298824D+00  0.118848D+01 -0.433282D+01
      5  -0.259612D+01 -0.848377D+01  0.817451D+01 -0.477395D+01 -0.253929D+01
      6   0.637563D+01  0.564675D+01 -0.258316D+01  0.466605D+01  0.831588D-01
               226           227           228           229           230 
      1   0.542618D+02  0.147402D+02  0.153718D+02  0.308407D+02  0.141425D+02
      2  -0.263736D+02 -0.717631D+01 -0.753382D+01 -0.146711D+02 -0.337059D+01
      3  -0.278881D+02 -0.756384D+01 -0.783798D+01 -0.161696D+02 -0.107719D+02
      4   0.171617D+02  0.154935D+02  0.614737D+01  0.242247D+02  0.131099D+02
      5   0.159563D+02  0.558830D+01  0.133290D+02  0.874765D+01  0.660309D+01
      6   0.731463D+00 -0.173296D+00  0.211893D+00  0.649756D+00  0.173757D+01
               231           232           233           234 
      1   0.701250D+01  0.332888D+02  0.686500D+01  0.118269D+02
      2  -0.268454D+01 -0.167291D+02 -0.283359D+01 -0.888755D+01
      3  -0.432796D+01 -0.165598D+02 -0.403141D+01 -0.293935D+01
      4   0.766586D+01  0.103317D+02  0.106382D+02  0.860704D+01
      5   0.115837D+02  0.189971D+02  0.828682D+01  0.139187D+02
      6   0.212330D+01  0.155140D+01  0.161027D+01  0.155459D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:09:54 2021, MaxMem= 10737418240 cpu:           13883.9 elap:             870.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30473 -10.29605 -10.29214 -10.29184 -10.29160
 Alpha  occ. eigenvalues --  -10.29064 -10.28863 -10.28352 -10.28119 -10.28034
 Alpha  occ. eigenvalues --   -0.97384  -0.90161  -0.84076  -0.81877  -0.78223
 Alpha  occ. eigenvalues --   -0.77148  -0.72012  -0.66860  -0.61740  -0.58693
 Alpha  occ. eigenvalues --   -0.56585  -0.54905  -0.53650  -0.51752  -0.51011
 Alpha  occ. eigenvalues --   -0.49014  -0.48439  -0.47760  -0.46748  -0.46384
 Alpha  occ. eigenvalues --   -0.44755  -0.44111  -0.42446  -0.40902  -0.39714
 Alpha  occ. eigenvalues --   -0.36241  -0.34196  -0.29884
 Alpha virt. eigenvalues --    0.08259   0.08547   0.10115   0.11375   0.11601
 Alpha virt. eigenvalues --    0.13095   0.13564   0.13929   0.15107   0.16145
 Alpha virt. eigenvalues --    0.16761   0.17359   0.18066   0.18591   0.18955
 Alpha virt. eigenvalues --    0.19642   0.20431   0.21575   0.21757   0.21983
 Alpha virt. eigenvalues --    0.23020   0.23109   0.23986   0.24275   0.24925
 Alpha virt. eigenvalues --    0.25348   0.25855   0.27077   0.27909   0.28873
 Alpha virt. eigenvalues --    0.30005   0.30218   0.31200   0.31692   0.32806
 Alpha virt. eigenvalues --    0.33308   0.34090   0.34543   0.35085   0.35589
 Alpha virt. eigenvalues --    0.36409   0.36629   0.36836   0.37524   0.38694
 Alpha virt. eigenvalues --    0.38732   0.39002   0.39243   0.39675   0.40192
 Alpha virt. eigenvalues --    0.40597   0.41135   0.41772   0.42005   0.42368
 Alpha virt. eigenvalues --    0.42586   0.43219   0.43414   0.44267   0.44440
 Alpha virt. eigenvalues --    0.44922   0.45223   0.45592   0.45803   0.46293
 Alpha virt. eigenvalues --    0.46799   0.47642   0.48005   0.48501   0.48911
 Alpha virt. eigenvalues --    0.49362   0.50306   0.50587   0.51121   0.51630
 Alpha virt. eigenvalues --    0.51960   0.52459   0.53128   0.53608   0.53769
 Alpha virt. eigenvalues --    0.54931   0.55039   0.55390   0.55848   0.56069
 Alpha virt. eigenvalues --    0.56901   0.57411   0.57715   0.58842   0.59237
 Alpha virt. eigenvalues --    0.59637   0.60147   0.60294   0.60552   0.61358
 Alpha virt. eigenvalues --    0.62320   0.62431   0.63093   0.63224   0.63715
 Alpha virt. eigenvalues --    0.64065   0.64736   0.65251   0.66589   0.66986
 Alpha virt. eigenvalues --    0.67035   0.67905   0.68023   0.68331   0.69829
 Alpha virt. eigenvalues --    0.70619   0.71090   0.71810   0.71965   0.73758
 Alpha virt. eigenvalues --    0.74294   0.74961   0.76399   0.78245   0.78565
 Alpha virt. eigenvalues --    0.79118   0.80164   0.80312   0.81877   0.83063
 Alpha virt. eigenvalues --    0.83850   0.84818   0.85347   0.85931   0.88009
 Alpha virt. eigenvalues --    0.88556   0.89678   0.89924   0.91544   0.92814
 Alpha virt. eigenvalues --    0.94227   0.99358   1.00516   1.02388   1.02813
 Alpha virt. eigenvalues --    1.03670   1.04568   1.05017   1.05749   1.07678
 Alpha virt. eigenvalues --    1.08723   1.09762   1.10184   1.10483   1.11691
 Alpha virt. eigenvalues --    1.11829   1.12875   1.13677   1.14043   1.16206
 Alpha virt. eigenvalues --    1.16339   1.17037   1.19030   1.20588   1.23246
 Alpha virt. eigenvalues --    1.24372   1.25227   1.26633   1.27760   1.27889
 Alpha virt. eigenvalues --    1.29960   1.32629   1.33254   1.35270   1.36559
 Alpha virt. eigenvalues --    1.38252   1.38468   1.40123   1.41336   1.42820
 Alpha virt. eigenvalues --    1.44129   1.44524   1.46517   1.48021   1.49044
 Alpha virt. eigenvalues --    1.49379   1.50790   1.52300   1.52923   1.55068
 Alpha virt. eigenvalues --    1.56251   1.57653   1.59215   1.62614   1.64990
 Alpha virt. eigenvalues --    1.68150   1.71696   1.73317   1.75031   1.75456
 Alpha virt. eigenvalues --    1.78039   1.78324   1.78873   1.79868   1.82090
 Alpha virt. eigenvalues --    1.83947   1.85428   1.87783   1.88216   1.88608
 Alpha virt. eigenvalues --    1.89638   1.90863   1.92829   1.93962   1.96546
 Alpha virt. eigenvalues --    1.99707   2.00629   2.02556   2.04779   2.05963
 Alpha virt. eigenvalues --    2.06125   2.09906   2.10528   2.11073   2.12030
 Alpha virt. eigenvalues --    2.12215   2.13830   2.15081   2.16678   2.17158
 Alpha virt. eigenvalues --    2.17825   2.19204   2.19922   2.23683   2.24905
 Alpha virt. eigenvalues --    2.25958   2.26556   2.28510   2.28978   2.29899
 Alpha virt. eigenvalues --    2.31955   2.33260   2.33767   2.35739   2.37037
 Alpha virt. eigenvalues --    2.38386   2.40552   2.42107   2.43347   2.46439
 Alpha virt. eigenvalues --    2.47700   2.48733   2.50496   2.52246   2.54017
 Alpha virt. eigenvalues --    2.55403   2.58938   2.61561   2.64182   2.65067
 Alpha virt. eigenvalues --    2.65775   2.67390   2.68658   2.70926   2.73079
 Alpha virt. eigenvalues --    2.73639   2.75718   2.77028   2.78012   2.79439
 Alpha virt. eigenvalues --    2.80811   2.83477   2.87505   2.95467   2.96246
 Alpha virt. eigenvalues --    3.00452   3.01436   3.05168   3.06024   3.09733
 Alpha virt. eigenvalues --    3.12311   3.15924   3.16909   3.19020   3.19926
 Alpha virt. eigenvalues --    3.22152   3.22550   3.24509   3.26149   3.28586
 Alpha virt. eigenvalues --    3.30332   3.31292   3.32844   3.36008   3.45098
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.384643   0.200664   0.171650  -0.102645   0.034896  -0.094424
     2  C    0.200664   6.566080   0.071452  -0.219032   0.011446   0.060867
     3  C    0.171650   0.071452   7.209590   0.134340  -0.329666  -0.451689
     4  C   -0.102645  -0.219032   0.134340   7.176179   0.308672   0.058857
     5  C    0.034896   0.011446  -0.329666   0.308672   5.136913  -0.346392
     6  C   -0.094424   0.060867  -0.451689   0.058857  -0.346392   5.530410
     7  C   -0.011085   0.115065  -0.021306   0.011125   0.012400   0.237861
     8  C   -0.805448  -0.457998  -0.212892   0.140019   0.013102   0.063113
     9  H    0.336987  -0.039749  -0.556166  -0.072542   0.008791  -0.004422
    10  H   -0.227920  -0.222710   0.000256   0.085963  -0.002345   0.056051
    11  H   -0.362085  -0.053046  -0.013809  -0.205373  -0.110694   0.114054
    12  H    0.004618  -0.000390  -0.065900   0.131413   0.219407   0.029831
    13  H   -0.004661   0.000057   0.023294   0.111106   0.198755  -0.024828
    14  H    0.000053   0.001053   0.034222   0.080519   0.212423  -0.022095
    15  H    0.010134   0.001711   0.053891   0.057385  -0.072846   0.140508
    16  H    0.006407   0.005546   0.019216   0.105273   0.025032   0.133318
    17  H   -0.011958  -0.015017   0.007503   0.028841   0.002388   0.048324
    18  H    0.016172   0.063233   0.030711   0.008159   0.004307  -0.144037
    19  C   -0.057426  -0.113620  -0.054493   0.008847   0.004662  -0.008554
    20  C   -0.259091  -0.287332   0.057074   0.004891   0.000205   0.000155
    21  H   -0.090858  -0.052964  -0.077194  -0.010553   0.003202  -0.005724
    22  H    0.026532   0.023530   0.007789   0.001853  -0.000455  -0.000323
    23  H    0.033890   0.000095   0.002666  -0.004549   0.000335  -0.000906
    24  H   -0.068428  -0.048509   0.005931   0.000279   0.000028   0.000768
    25  H    0.008999   0.044889   0.000513   0.000543  -0.000020  -0.000018
    26  H    0.042278  -0.020571  -0.002951  -0.001231   0.000008  -0.000375
               7          8          9         10         11         12
     1  C   -0.011085  -0.805448   0.336987  -0.227920  -0.362085   0.004618
     2  C    0.115065  -0.457998  -0.039749  -0.222710  -0.053046  -0.000390
     3  C   -0.021306  -0.212892  -0.556166   0.000256  -0.013809  -0.065900
     4  C    0.011125   0.140019  -0.072542   0.085963  -0.205373   0.131413
     5  C    0.012400   0.013102   0.008791  -0.002345  -0.110694   0.219407
     6  C    0.237861   0.063113  -0.004422   0.056051   0.114054   0.029831
     7  C    5.285677  -0.153742   0.053512  -0.688688   0.017255   0.001722
     8  C   -0.153742  10.241608  -0.465864  -0.251985   0.050715  -0.000242
     9  H    0.053512  -0.465864   2.774316  -0.206269  -0.327830  -0.000625
    10  H   -0.688688  -0.251985  -0.206269   3.763601   0.019784  -0.000018
    11  H    0.017255   0.050715  -0.327830   0.019784   2.002805  -0.013622
    12  H    0.001722  -0.000242  -0.000625  -0.000018  -0.013622   0.604285
    13  H    0.001206  -0.001110  -0.000529  -0.000066  -0.004692  -0.045782
    14  H    0.002949  -0.003607   0.000321  -0.000205  -0.006575  -0.017857
    15  H   -0.035436   0.003165  -0.001605   0.013667  -0.003118  -0.002905
    16  H    0.012168   0.005679   0.008355  -0.009849  -0.007045   0.003036
    17  H    0.175370  -0.024809  -0.003437   0.113950   0.000307  -0.000023
    18  H    0.422827  -0.030577   0.013138  -0.430171  -0.004308   0.000032
    19  C   -0.082229  -0.725178   0.137378   0.131883  -0.028357   0.000279
    20  C    0.064310   0.185214  -0.190256  -0.236313   0.008184   0.000011
    21  H   -0.016216   0.177859   0.006545   0.008075  -0.011721   0.000291
    22  H   -0.007113   0.242365  -0.004239   0.006388   0.000834  -0.000029
    23  H    0.008372   0.248408   0.007768  -0.002461  -0.004359  -0.000001
    24  H   -0.000190   0.180188  -0.042082  -0.014025   0.000309  -0.000000
    25  H   -0.001615   0.230881  -0.007060   0.011843   0.000787   0.000002
    26  H    0.006167   0.238937   0.013320  -0.031180  -0.000450  -0.000000
              13         14         15         16         17         18
     1  C   -0.004661   0.000053   0.010134   0.006407  -0.011958   0.016172
     2  C    0.000057   0.001053   0.001711   0.005546  -0.015017   0.063233
     3  C    0.023294   0.034222   0.053891   0.019216   0.007503   0.030711
     4  C    0.111106   0.080519   0.057385   0.105273   0.028841   0.008159
     5  C    0.198755   0.212423  -0.072846   0.025032   0.002388   0.004307
     6  C   -0.024828  -0.022095   0.140508   0.133318   0.048324  -0.144037
     7  C    0.001206   0.002949  -0.035436   0.012168   0.175370   0.422827
     8  C   -0.001110  -0.003607   0.003165   0.005679  -0.024809  -0.030577
     9  H   -0.000529   0.000321  -0.001605   0.008355  -0.003437   0.013138
    10  H   -0.000066  -0.000205   0.013667  -0.009849   0.113950  -0.430171
    11  H   -0.004692  -0.006575  -0.003118  -0.007045   0.000307  -0.004308
    12  H   -0.045782  -0.017857  -0.002905   0.003036  -0.000023   0.000032
    13  H    0.639023   0.074424  -0.004245   0.000697   0.001253  -0.000237
    14  H    0.074424   0.527386   0.004902   0.001111   0.000994   0.000354
    15  H   -0.004245   0.004902   0.775343  -0.005011  -0.007637  -0.022856
    16  H    0.000697   0.001111  -0.005011   0.670044   0.001535  -0.012077
    17  H    0.001253   0.000994  -0.007637   0.001535   0.972127  -0.246319
    18  H   -0.000237   0.000354  -0.022856  -0.012077  -0.246319   1.261631
    19  C    0.000146   0.000734  -0.000327  -0.001218   0.031795  -0.006941
    20  C    0.000003   0.000024  -0.000153  -0.000766   0.003078   0.006932
    21  H   -0.000149  -0.002071   0.003953  -0.000513   0.006853  -0.001119
    22  H    0.000004   0.000030   0.000258  -0.000048   0.003441  -0.002285
    23  H    0.000008   0.000112   0.000064  -0.000004  -0.000128   0.000075
    24  H    0.000001   0.000000   0.000001  -0.000057   0.000283  -0.000647
    25  H    0.000000  -0.000000  -0.000004   0.000021   0.000416  -0.000176
    26  H    0.000000   0.000000  -0.000008  -0.000012  -0.000866   0.001588
              19         20         21         22         23         24
     1  C   -0.057426  -0.259091  -0.090858   0.026532   0.033890  -0.068428
     2  C   -0.113620  -0.287332  -0.052964   0.023530   0.000095  -0.048509
     3  C   -0.054493   0.057074  -0.077194   0.007789   0.002666   0.005931
     4  C    0.008847   0.004891  -0.010553   0.001853  -0.004549   0.000279
     5  C    0.004662   0.000205   0.003202  -0.000455   0.000335   0.000028
     6  C   -0.008554   0.000155  -0.005724  -0.000323  -0.000906   0.000768
     7  C   -0.082229   0.064310  -0.016216  -0.007113   0.008372  -0.000190
     8  C   -0.725178   0.185214   0.177859   0.242365   0.248408   0.180188
     9  H    0.137378  -0.190256   0.006545  -0.004239   0.007768  -0.042082
    10  H    0.131883  -0.236313   0.008075   0.006388  -0.002461  -0.014025
    11  H   -0.028357   0.008184  -0.011721   0.000834  -0.004359   0.000309
    12  H    0.000279   0.000011   0.000291  -0.000029  -0.000001  -0.000000
    13  H    0.000146   0.000003  -0.000149   0.000004   0.000008   0.000001
    14  H    0.000734   0.000024  -0.002071   0.000030   0.000112   0.000000
    15  H   -0.000327  -0.000153   0.003953   0.000258   0.000064   0.000001
    16  H   -0.001218  -0.000766  -0.000513  -0.000048  -0.000004  -0.000057
    17  H    0.031795   0.003078   0.006853   0.003441  -0.000128   0.000283
    18  H   -0.006941   0.006932  -0.001119  -0.002285   0.000075  -0.000647
    19  C    5.984951  -0.586225   0.419639  -0.098425  -0.044609  -0.000197
    20  C   -0.586225   5.748001  -0.017385   0.003527   0.003482   0.362923
    21  H    0.419639  -0.017385   0.869206  -0.050994  -0.040289  -0.001935
    22  H   -0.098425   0.003527  -0.050994   0.673559  -0.042335  -0.000922
    23  H   -0.044609   0.003482  -0.040289  -0.042335   0.753100  -0.000407
    24  H   -0.000197   0.362923  -0.001935  -0.000922  -0.000407   0.623862
    25  H    0.022215  -0.054928   0.000457   0.001189  -0.000304  -0.045639
    26  H    0.001648   0.038868  -0.001499   0.004510   0.000110  -0.022159
              25         26
     1  C    0.008999   0.042278
     2  C    0.044889  -0.020571
     3  C    0.000513  -0.002951
     4  C    0.000543  -0.001231
     5  C   -0.000020   0.000008
     6  C   -0.000018  -0.000375
     7  C   -0.001615   0.006167
     8  C    0.230881   0.238937
     9  H   -0.007060   0.013320
    10  H    0.011843  -0.031180
    11  H    0.000787  -0.000450
    12  H    0.000002  -0.000000
    13  H    0.000000   0.000000
    14  H   -0.000000   0.000000
    15  H   -0.000004  -0.000008
    16  H    0.000021  -0.000012
    17  H    0.000416  -0.000866
    18  H   -0.000176   0.001588
    19  C    0.022215   0.001648
    20  C   -0.054928   0.038868
    21  H    0.000457  -0.001499
    22  H    0.001189   0.004510
    23  H   -0.000304   0.000110
    24  H   -0.045639  -0.022159
    25  H    0.661172  -0.009236
    26  H   -0.009236   0.665542
 Mulliken charges:
               1
     1  C    0.818104
     2  C    0.365251
     3  C   -0.044030
     4  C   -1.838340
     5  C    0.665442
     6  C    0.629671
     7  C    0.589633
     8  C   -2.887799
     9  H   -0.437754
    10  H   -0.887256
    11  H   -0.057949
    12  H    0.152469
    13  H    0.036322
    14  H    0.110801
    15  H    0.091169
    16  H    0.039163
    17  H   -0.088262
    18  H    0.072591
    19  C    1.063622
    20  C    1.145565
    21  H   -0.114897
    22  H    0.211360
    23  H    0.081867
    24  H    0.070625
    25  H    0.135072
    26  H    0.077562
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.380350
     2  C   -0.522006
     3  C   -0.101979
     4  C   -1.838340
     5  C    0.965034
     6  C    0.760003
     7  C    0.573961
     8  C   -2.887799
    19  C    1.241953
    20  C    1.428824
 Electronic spatial extent (au):  <R**2>=           1604.3766
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1558    Y=              0.3068    Z=              0.0987  Tot=              0.3579
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.2886   YY=            -62.5184   ZZ=            -63.9574
   XY=             -0.3134   XZ=             -1.0512   YZ=             -0.0025
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6329   YY=              0.4030   ZZ=             -1.0359
   XY=             -0.3134   XZ=             -1.0512   YZ=             -0.0025
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.4464  YYY=             -0.7327  ZZZ=             -0.0208  XYY=             -0.5185
  XXY=              0.7157  XXZ=              1.0262  XZZ=              1.7305  YZZ=              1.9812
  YYZ=             -1.7163  XYZ=             -0.1085
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1488.9830 YYYY=           -441.8314 ZZZZ=           -306.8107 XXXY=             -0.5779
 XXXZ=              3.4642 YYYX=              1.9207 YYYZ=             -1.1454 ZZZX=             -9.1882
 ZZZY=              1.3213 XXYY=           -321.0829 XXZZ=           -295.0862 YYZZ=           -128.3682
 XXYZ=             -0.8039 YYXZ=              0.9265 ZZXY=             -0.6498
 N-N= 5.488148234238D+02 E-N=-1.998410389689D+03  KE= 3.853753941463D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:09:54 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3719    1.3701       -2.6278   -2.6248
 2     -1.3719   -1.3701       -0.7074   -0.7081      -16.4380  -16.4345
 3      2.6278    2.6248       21.9332   21.9246        0.7078    0.7081
 4      0.7074    0.7081        0.0000    0.0000        2.6276    2.6248
 5     -5.4952   -5.4901       -2.6276   -2.6248        1.3718    1.3701
 6     -0.7078   -0.7081       -1.3718   -1.3701       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.1103   -4.1103       -7.8744   -7.8744
 2      2.1242    2.1242        0.0000    0.0000       -7.8744   -7.8744
 3      2.1242    2.1242       -4.1103   -4.1103        0.0000    0.0000
 4     -4.1103   -4.1103       -2.1242   -2.1242      -49.3034  -49.3034
 5      7.8744    7.8744       65.7738   65.7738        2.1242    2.1242
 6    -16.4703  -16.4703       -7.8744   -7.8744        4.1103    4.1103
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1268    0.0000       -5.3249   -5.4804        9.9271   10.4993
 2      5.5024    5.4804        2.8960    2.8323       66.0413   65.7379
 3    -10.4873  -10.4993      -87.4344  -87.6984       -2.8949   -2.8323
 4     -2.8817   -2.8323        0.0454    0.0000      -10.6416  -10.4993
 5     21.9951   21.9605       10.6446   10.4993       -5.4917   -5.4804
 6      2.9001    2.8323        5.3775    5.4804       -0.0627    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2505    0.0000      -17.7859  -17.7179      -26.5654  -26.5804
 2     17.9405   17.7179       18.4249   18.3816        2.7642    2.4893
 3     26.2148   26.5804       25.7418   25.4646      -18.2929  -18.3816
 4    -18.0086  -18.3816        0.2712    0.0000       26.4311   26.5804
 5    -28.4549  -27.9538      -27.1350  -26.5804      -17.5523  -17.7179
 6     18.1577   18.3816       17.5292   17.7179        0.0907    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -28.9407  -28.5953       24.4818   24.9482       20.2995   20.1365
 2    -49.8040  -49.8038       11.3990   11.3628       20.2422   20.1365
 3    -49.6941  -49.8038       24.9804   24.9482       28.3887   28.3591
 4     13.9274   13.5854       21.4959   21.2084       21.0803   20.8408
 5      7.7581    8.2226       36.5812   35.9736      -21.3321  -21.2084
 6    -57.7562  -56.8144       -8.9722   -8.2226      -13.2780  -13.5854
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.4536                 0.9898                 0.5290
  Dep-P Fr= 1--      0.6642                 0.5790                 0.6899
  Dep-U Fr= 1--      0.7982                 0.7334                 0.8165
 Alpha2 Fr= 1--      0.0022                 0.0032                 0.0006
 Beta2  Fr= 1--      0.1934                 0.1210                 0.0720
 AlphaG Fr= 1--     -0.0061                -0.0073                -0.0134
 Gamma2 Fr= 1--      0.1039                 0.1025                -0.1771
 Delta2 Fr= 1--     -0.0361                 0.1670                 0.1299
 Raman1 Fr= 1--       5.814                  3.959                  2.116
 ROA1   Fr= 1--       8.822                 15.182                -12.850
 CID1   Fr= 1--       1.517                  3.835                 -6.072
 Raman2 Fr= 1--       2.321                  1.452                  0.864
 ROA2   Fr= 1--       2.784                  1.124                 -5.290
 CID2   Fr= 1--       1.200                  0.774                 -6.124
 Raman3 Fr= 1--       4.641                  2.904                  1.728
 ROA3   Fr= 1--       8.822                 15.182                -12.850
 CID3   Fr= 1--       1.901                  5.229                 -7.437
 RC180  Fr= 1--       0.596                  0.467                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.1802                 0.1066                 0.1171
  Dep-P Fr= 1--      0.7234                 0.5291                 0.7396
  Dep-U Fr= 1--      0.8395                 0.6920                 0.8503
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0252                 0.0123                 0.0166
 AlphaG Fr= 1--      0.0011                 0.0011                -0.0003
 Gamma2 Fr= 1--      0.3185                -0.0600                 0.0244
 Delta2 Fr= 1--     -0.0788                 0.0318                -0.0291
 Raman1 Fr= 1--       0.721                  0.427                  0.468
 ROA1   Fr= 1--      28.052                 -4.745                  1.409
 CID1   Fr= 1--      38.908                -11.124                  3.008
 Raman2 Fr= 1--       0.303                  0.148                  0.199
 ROA2   Fr= 1--       8.274                 -1.696                  0.817
 CID2   Fr= 1--      27.341                -11.488                  4.106
 Raman3 Fr= 1--       0.605                  0.295                  0.398
 ROA3   Fr= 1--      28.052                 -4.745                  1.409
 CID3   Fr= 1--      46.346                -16.074                  3.538
 RC180  Fr= 1--       0.679                  0.384                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.4104                 1.6161                 2.3362
  Dep-P Fr= 1--      0.6913                 0.1560                 0.3984
  Dep-U Fr= 1--      0.8175                 0.2699                 0.5698
 Alpha2 Fr= 1--      0.0004                 0.0246                 0.0174
 Beta2  Fr= 1--      0.0559                 0.0727                 0.2219
 AlphaG Fr= 1--     -0.0038                 0.0661                -0.0062
 Gamma2 Fr= 1--     -0.1098                 0.7011                 0.6086
 Delta2 Fr= 1--      0.1430                 0.1026                -0.0515
 Raman1 Fr= 1--       1.641                  6.464                  9.345
 ROA1   Fr= 1--      -5.967                 70.591                 56.781
 CID1   Fr= 1--      -3.636                 10.920                  6.076
 Raman2 Fr= 1--       0.671                  0.872                  2.662
 ROA2   Fr= 1--      -3.779                 16.006                 15.020
 CID2   Fr= 1--      -5.633                 18.346                  5.641
 Raman3 Fr= 1--       1.342                  1.745                  5.325
 ROA3   Fr= 1--      -5.967                 70.591                 56.781
 CID3   Fr= 1--      -4.447                 40.456                 10.664
 RC180  Fr= 1--       0.635                 -0.460                  0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.4438                 1.9035                 4.4198
  Dep-P Fr= 1--      0.3269                 0.7402                 0.2235
  Dep-U Fr= 1--      0.4927                 0.8507                 0.3654
 Alpha2 Fr= 1--      0.0136                 0.0003                 0.0564
 Beta2  Fr= 1--      0.1186                 0.2699                 0.2691
 AlphaG Fr= 1--     -0.0259                -0.0001                 0.0969
 Gamma2 Fr= 1--     -0.1675                 1.4018                 0.3504
 Delta2 Fr= 1--      0.0047                 0.4281                 0.2357
 Raman1 Fr= 1--       5.775                  7.614                 17.679
 ROA1   Fr= 1--     -15.927                148.276                 41.184
 CID1   Fr= 1--      -2.758                 19.475                  2.330
 Raman2 Fr= 1--       1.423                  3.239                  3.230
 ROA2   Fr= 1--      -4.056                 30.219                  6.524
 CID2   Fr= 1--      -2.851                  9.331                  2.020
 Raman3 Fr= 1--       2.846                  6.477                  6.460
 ROA3   Fr= 1--     -15.927                148.276                 41.184
 CID3   Fr= 1--      -5.597                 22.892                  6.376
 RC180  Fr= 1--      -0.015                  0.701                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.3073                 2.9265                 1.6605
  Dep-P Fr= 1--      0.4992                 0.5726                 0.2239
  Dep-U Fr= 1--      0.6660                 0.7282                 0.3659
 Alpha2 Fr= 1--      0.0114                 0.0098                 0.0211
 Beta2  Fr= 1--      0.2561                 0.3552                 0.1013
 AlphaG Fr= 1--     -0.0092                 0.0081                 0.0449
 Gamma2 Fr= 1--      0.2185                -0.9715                 0.2116
 Delta2 Fr= 1--      0.0149                -0.5667                -0.1401
 Raman1 Fr= 1--       9.229                 11.706                  6.642
 ROA1   Fr= 1--      21.452               -111.396                 15.832
 CID1   Fr= 1--       2.324                 -9.516                  2.384
 Raman2 Fr= 1--       3.073                  4.262                  1.215
 ROA2   Fr= 1--       5.124                -18.781                  6.200
 CID2   Fr= 1--       1.667                 -4.407                  5.103
 Raman3 Fr= 1--       6.146                  8.524                  2.430
 ROA3   Fr= 1--      21.452               -111.396                 15.832
 CID3   Fr= 1--       3.490                -13.068                  6.515
 RC180  Fr= 1--       0.332                  0.456                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      7.5068                 8.6365                 6.9540
  Dep-P Fr= 1--      0.2929                 0.0182                 0.2495
  Dep-U Fr= 1--      0.4531                 0.0357                 0.3993
 Alpha2 Fr= 1--      0.0786                 0.1839                 0.0825
 Beta2  Fr= 1--      0.5668                 0.0514                 0.4628
 AlphaG Fr= 1--     -0.1311                -0.3005                 0.2572
 Gamma2 Fr= 1--      0.0903                -0.9477                -2.7535
 Delta2 Fr= 1--      0.2003                -0.2089                -0.8277
 Raman1 Fr= 1--      30.027                 34.546                 27.816
 ROA1   Fr= 1--      15.076                -97.660               -290.827
 CID1   Fr= 1--       0.502                 -2.827                -10.455
 Raman2 Fr= 1--       6.802                  0.617                  5.554
 ROA2   Fr= 1--       0.564                -21.072                -59.463
 CID2   Fr= 1--       0.083                -34.134                -10.707
 Raman3 Fr= 1--      13.604                  1.235                 11.107
 ROA3   Fr= 1--      15.076                -97.660               -290.827
 CID3   Fr= 1--       1.108                -79.098                -26.183
 RC180  Fr= 1--      -0.094                 -0.929                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      4.2779                 4.2831                 7.7936
  Dep-P Fr= 1--      0.6343                 0.1750                 0.3087
  Dep-U Fr= 1--      0.7763                 0.2979                 0.4717
 Alpha2 Fr= 1--      0.0090                 0.0621                 0.0779
 Beta2  Fr= 1--      0.5535                 0.2127                 0.6127
 AlphaG Fr= 1--     -0.1018                -0.2310                 0.2455
 Gamma2 Fr= 1--      2.7496                 0.8801                -2.0274
 Delta2 Fr= 1--      0.3957                -0.4590                -0.7538
 Raman1 Fr= 1--      17.112                 17.132                 31.174
 ROA1   Fr= 1--     276.628                 69.801               -218.749
 CID1   Fr= 1--      16.166                  4.074                 -7.017
 Raman2 Fr= 1--       6.642                  2.552                  7.353
 ROA2   Fr= 1--      62.826                 24.794                -42.627
 CID2   Fr= 1--       9.459                  9.716                 -5.797
 Raman3 Fr= 1--      13.283                  5.104                 14.706
 ROA3   Fr= 1--     276.628                 69.801               -218.749
 CID3   Fr= 1--      20.826                 13.676                -14.875
 RC180  Fr= 1--       0.553                 -0.404                 -0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      6.8764                 3.3993                 2.0993
  Dep-P Fr= 1--      0.4623                 0.6242                 0.2576
  Dep-U Fr= 1--      0.6323                 0.7687                 0.4097
 Alpha2 Fr= 1--      0.0401                 0.0078                 0.0244
 Beta2  Fr= 1--      0.7247                 0.4355                 0.1433
 AlphaG Fr= 1--     -0.0504                -0.0048                 0.0110
 Gamma2 Fr= 1--      0.3668                 1.8324                -0.8246
 Delta2 Fr= 1--      0.9301                 0.1433                -0.2951
 Raman1 Fr= 1--      27.506                 13.597                  8.397
 ROA1   Fr= 1--      64.973                180.498                -88.605
 CID1   Fr= 1--       2.362                 13.275                -10.552
 Raman2 Fr= 1--       8.696                  5.226                  1.720
 ROA2   Fr= 1--       1.362                 42.831                -17.430
 CID2   Fr= 1--       0.157                  8.196                -10.134
 Raman3 Fr= 1--      17.392                 10.451                  3.440
 ROA3   Fr= 1--      64.973                180.498                -88.605
 CID3   Fr= 1--       3.736                 17.270                -25.758
 RC180  Fr= 1--       0.265                  0.537                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     18.7510                 3.4386                 5.0435
  Dep-P Fr= 1--      0.6805                 0.7398                 0.2136
  Dep-U Fr= 1--      0.8099                 0.8504                 0.3520
 Alpha2 Fr= 1--      0.0230                 0.0006                 0.0661
 Beta2  Fr= 1--      2.5311                 0.4874                 0.2959
 AlphaG Fr= 1--     -0.0711                -0.0187                 0.0972
 Gamma2 Fr= 1--     -1.8442                -2.9777                -0.7952
 Delta2 Fr= 1--     -0.0041                -1.8628                -0.1355
 Raman1 Fr= 1--      75.004                 13.754                 20.174
 ROA1   Fr= 1--    -177.177               -345.465                -80.674
 CID1   Fr= 1--      -2.362                -25.117                 -3.999
 Raman2 Fr= 1--      30.373                  5.849                  3.551
 ROA2   Fr= 1--     -44.229                -56.562                -18.001
 CID2   Fr= 1--      -1.456                 -9.671                 -5.070
 Raman3 Fr= 1--      60.746                 11.697                  7.101
 ROA3   Fr= 1--    -177.177               -345.465                -80.674
 CID3   Fr= 1--      -2.917                -29.534                -11.361
 RC180  Fr= 1--       0.620                  0.701                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      1.9303                 3.6993                 2.1401
  Dep-P Fr= 1--      0.7495                 0.4906                 0.2036
  Dep-U Fr= 1--      0.8568                 0.6582                 0.3384
 Alpha2 Fr= 1--      0.0000                 0.0191                 0.0288
 Beta2  Fr= 1--      0.2756                 0.4058                 0.1207
 AlphaG Fr= 1--     -0.0042                 0.0586                -0.0773
 Gamma2 Fr= 1--     -0.5437                -0.3597                 1.2295
 Delta2 Fr= 1--      0.8883                -0.1745                 0.3976
 Raman1 Fr= 1--       7.721                 14.797                  8.560
 ROA1   Fr= 1--     -23.774                -40.111                130.751
 CID1   Fr= 1--      -3.079                 -2.711                 15.274
 Raman2 Fr= 1--       3.308                  4.870                  1.448
 ROA2   Fr= 1--     -20.156                 -7.236                 26.326
 CID2   Fr= 1--      -6.093                 -1.486                 18.178
 Raman3 Fr= 1--       6.616                  9.740                  2.896
 ROA3   Fr= 1--     -23.774                -40.111                130.751
 CID3   Fr= 1--      -3.594                 -4.118                 45.141
 RC180  Fr= 1--       0.714                  0.316                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      5.6500                 2.9435                 4.6253
  Dep-P Fr= 1--      0.3955                 0.6478                 0.7318
  Dep-U Fr= 1--      0.5669                 0.7863                 0.8452
 Alpha2 Fr= 1--      0.0425                 0.0054                 0.0014
 Beta2  Fr= 1--      0.5338                 0.3857                 0.6515
 AlphaG Fr= 1--     -0.0520                -0.0177                -0.0125
 Gamma2 Fr= 1--      0.4765                -3.2899                 1.7831
 Delta2 Fr= 1--      0.7332                -0.8496                -0.1906
 Raman1 Fr= 1--      22.600                 11.774                 18.501
 ROA1   Fr= 1--      69.209               -343.021                165.081
 CID1   Fr= 1--       3.062                -29.134                  8.923
 Raman2 Fr= 1--       6.406                  4.629                  7.818
 ROA2   Fr= 1--       5.571                -72.162                 44.320
 CID2   Fr= 1--       0.870                -15.590                  5.669
 Raman3 Fr= 1--      12.811                  9.258                 15.636
 ROA3   Fr= 1--      69.209               -343.021                165.081
 CID3   Fr= 1--       5.402                -37.053                 10.558
 RC180  Fr= 1--       0.134                  0.573                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.2102                 2.9505                 2.9424
  Dep-P Fr= 1--      0.3234                 0.7498                 0.4371
  Dep-U Fr= 1--      0.4888                 0.8570                 0.6083
 Alpha2 Fr= 1--      0.0307                 0.0000                 0.0190
 Beta2  Fr= 1--      0.2615                 0.4214                 0.2983
 AlphaG Fr= 1--      0.0863                -0.0001                 0.0790
 Gamma2 Fr= 1--     -0.1313                -0.1166                 0.4400
 Delta2 Fr= 1--      0.4637                 0.5394                -0.3670
 Raman1 Fr= 1--      12.841                 11.802                 11.770
 ROA1   Fr= 1--       2.228                  6.072                 30.494
 CID1   Fr= 1--       0.174                  0.514                  2.591
 Raman2 Fr= 1--       3.138                  5.057                  3.580
 ROA2   Fr= 1--      -6.862                 -7.112                 13.495
 CID2   Fr= 1--      -2.186                 -1.406                  3.770
 Raman3 Fr= 1--       6.277                 10.115                  7.160
 ROA3   Fr= 1--       2.228                  6.072                 30.494
 CID3   Fr= 1--       0.355                  0.600                  4.259
 RC180  Fr= 1--      -0.022                  0.714                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      3.3628                10.4627                 4.7958
  Dep-P Fr= 1--      0.5240                 0.3291                 0.5701
  Dep-U Fr= 1--      0.6877                 0.4952                 0.7262
 Alpha2 Fr= 1--      0.0148                 0.0982                 0.0163
 Beta2  Fr= 1--      0.3854                 0.8636                 0.5804
 AlphaG Fr= 1--     -0.0415                -0.0763                 0.0100
 Gamma2 Fr= 1--      0.6105                -5.8231                 0.8904
 Delta2 Fr= 1--      0.8254                -1.5595                 0.4833
 Raman1 Fr= 1--      13.451                 41.851                 19.183
 ROA1   Fr= 1--      85.019               -608.925                100.939
 CID1   Fr= 1--       6.321                -14.550                  5.262
 Raman2 Fr= 1--       4.625                 10.363                  6.965
 ROA2   Fr= 1--       8.048               -127.280                 17.502
 CID2   Fr= 1--       1.740                -12.282                  2.513
 Raman3 Fr= 1--       9.250                 20.726                 13.931
 ROA3   Fr= 1--      85.019               -608.925                100.939
 CID3   Fr= 1--       9.191                -29.379                  7.246
 RC180  Fr= 1--       0.375                 -0.010                  0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      6.1882                 4.5727                 2.9088
  Dep-P Fr= 1--      0.5692                 0.2240                 0.7209
  Dep-U Fr= 1--      0.7255                 0.3660                 0.8378
 Alpha2 Fr= 1--      0.0211                 0.0582                 0.0015
 Beta2  Fr= 1--      0.7483                 0.2790                 0.4062
 AlphaG Fr= 1--     -0.0246                 0.0372                -0.0039
 Gamma2 Fr= 1--     -0.8310                 0.1553                 1.3397
 Delta2 Fr= 1--     -0.1325                 0.2561                 1.1501
 Raman1 Fr= 1--      24.753                 18.291                 11.635
 ROA1   Fr= 1--     -84.022                 23.110                165.414
 CID1   Fr= 1--      -3.394                  1.263                 14.217
 Raman2 Fr= 1--       8.979                  3.348                  4.874
 ROA2   Fr= 1--     -18.885                  1.679                 22.952
 CID2   Fr= 1--      -2.103                  0.502                  4.709
 Raman3 Fr= 1--      17.958                  6.695                  9.748
 ROA3   Fr= 1--     -84.022                 23.110                165.414
 CID3   Fr= 1--      -4.679                  3.452                 16.968
 RC180  Fr= 1--       0.451                 -0.268                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--      8.0593                 0.3255                 8.9103
  Dep-P Fr= 1--      0.2693                 0.2478                 0.4186
  Dep-U Fr= 1--      0.4243                 0.3972                 0.5901
 Alpha2 Fr= 1--      0.0904                 0.0039                 0.0617
 Beta2  Fr= 1--      0.5699                 0.0216                 0.8763
 AlphaG Fr= 1--     -0.1860                -0.0080                 0.0636
 Gamma2 Fr= 1--     -1.6541                -0.0515                 0.9057
 Delta2 Fr= 1--     -0.1207                -0.0317                 0.3417
 Raman1 Fr= 1--      32.237                  1.302                 35.641
 ROA1   Fr= 1--    -162.657                 -5.955                 97.878
 CID1   Fr= 1--      -5.046                 -4.574                  2.746
 Raman2 Fr= 1--       6.839                  0.259                 10.516
 ROA2   Fr= 1--     -38.733                 -0.981                 19.003
 CID2   Fr= 1--      -5.664                 -3.794                  1.807
 Raman3 Fr= 1--      13.677                  0.517                 21.032
 ROA3   Fr= 1--    -162.657                 -5.955                 97.878
 CID3   Fr= 1--     -11.892                -11.514                  4.654
 RC180  Fr= 1--      -0.151                 -0.206                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--      8.2398                34.6984                 9.2914
  Dep-P Fr= 1--      0.1395                 0.2368                 0.5032
  Dep-U Fr= 1--      0.2449                 0.3829                 0.6695
 Alpha2 Fr= 1--      0.1308                 0.4266                 0.0452
 Beta2  Fr= 1--      0.3363                 2.2142                 1.0367
 AlphaG Fr= 1--     -0.0586                -0.3214                -0.1403
 Gamma2 Fr= 1--     -0.3174                -2.3233                -1.1486
 Delta2 Fr= 1--     -0.0094                 0.6388                -0.1628
 Raman1 Fr= 1--      32.959                138.794                 37.166
 ROA1   Fr= 1--     -30.768               -202.595               -115.479
 CID1   Fr= 1--      -0.934                 -1.460                 -3.107
 Raman2 Fr= 1--       4.036                 26.570                 12.441
 ROA2   Fr= 1--      -7.542                -60.870                -26.265
 CID2   Fr= 1--      -1.869                 -2.291                 -2.111
 Raman3 Fr= 1--       8.072                 53.141                 24.882
 ROA3   Fr= 1--     -30.768               -202.595               -115.479
 CID3   Fr= 1--      -3.812                 -3.812                 -4.641
 RC180  Fr= 1--      -0.510                 -0.234                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     10.5059                 9.9653                23.2742
  Dep-P Fr= 1--      0.6070                 0.5969                 0.4652
  Dep-U Fr= 1--      0.7554                 0.7476                 0.6350
 Alpha2 Fr= 1--      0.0277                 0.0283                 0.1341
 Beta2  Fr= 1--      1.3227                 1.2416                 2.4631
 AlphaG Fr= 1--      0.0364                -0.0746                -0.0554
 Gamma2 Fr= 1--      1.8710                -2.7998                -2.9052
 Delta2 Fr= 1--      1.1754                 0.8395                -1.1561
 Raman1 Fr= 1--      42.024                 39.861                 93.097
 ROA1   Fr= 1--     217.228               -241.914               -315.899
 CID1   Fr= 1--       5.169                 -6.069                 -3.393
 Raman2 Fr= 1--      15.873                 14.900                 29.557
 ROA2   Fr= 1--      35.501                -73.910                -60.477
 CID2   Fr= 1--       2.237                 -4.961                 -2.046
 Raman3 Fr= 1--      31.746                 29.799                 59.115
 ROA3   Fr= 1--     217.228               -241.914               -315.899
 CID3   Fr= 1--       6.843                 -8.118                 -5.344
 RC180  Fr= 1--       0.511                  0.495                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      0.9396                 1.3740                 3.9365
  Dep-P Fr= 1--      0.7178                 0.5651                 0.5952
  Dep-U Fr= 1--      0.8357                 0.7221                 0.7462
 Alpha2 Fr= 1--      0.0005                 0.0048                 0.0113
 Beta2  Fr= 1--      0.1309                 0.1654                 0.4896
 AlphaG Fr= 1--      0.0010                -0.0031                 0.0040
 Gamma2 Fr= 1--      0.9611                 0.2555                 0.1723
 Delta2 Fr= 1--      0.4281                 0.3497                -0.2754
 Raman1 Fr= 1--       3.758                  5.496                 15.746
 ROA1   Fr= 1--     105.967                 35.719                  7.727
 CID1   Fr= 1--      28.196                  6.499                  0.491
 Raman2 Fr= 1--       1.570                  1.984                  5.875
 ROA2   Fr= 1--      19.642                  3.335                  6.338
 CID2   Fr= 1--      12.508                  1.681                  1.079
 Raman3 Fr= 1--       3.141                  3.969                 11.750
 ROA3   Fr= 1--     105.967                 35.719                  7.727
 CID3   Fr= 1--      33.739                  9.000                  0.658
 RC180  Fr= 1--       0.671                  0.444                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      3.5993               115.1800               113.7122
  Dep-P Fr= 1--      0.5370                 0.1992                 0.2497
  Dep-U Fr= 1--      0.6987                 0.3322                 0.3996
 Alpha2 Fr= 1--      0.0148                 1.5676                 1.3489
 Beta2  Fr= 1--      0.4191                 6.3770                 7.5729
 AlphaG Fr= 1--     -0.0474                -0.1467                -2.4960
 Gamma2 Fr= 1--      1.6399                -3.1147               -18.9775
 Delta2 Fr= 1--     -0.1778                 2.0344                 5.3928
 Raman1 Fr= 1--      14.397                460.720                454.849
 ROA1   Fr= 1--     151.737               -233.913              -1649.267
 CID1   Fr= 1--      10.539                 -0.508                 -3.626
 Raman2 Fr= 1--       5.030                 76.524                 90.875
 ROA2   Fr= 1--      40.779                -91.028               -498.601
 CID2   Fr= 1--       8.107                 -1.190                 -5.487
 Raman3 Fr= 1--      10.060                153.048                181.749
 ROA3   Fr= 1--     151.737               -233.913              -1649.267
 CID3   Fr= 1--      15.084                 -1.528                 -9.074
 RC180  Fr= 1--       0.397                 -0.336                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    299.0533               132.2913               278.3895
  Dep-P Fr= 1--      0.0541                 0.0549                 0.0347
  Dep-U Fr= 1--      0.1026                 0.1041                 0.0671
 Alpha2 Fr= 1--      5.8499                 2.5826                 5.7021
 Beta2  Fr= 1--      5.1156                 2.2962                 3.1138
 AlphaG Fr= 1--     -0.8768                -0.1533                 0.0216
 Gamma2 Fr= 1--     -8.8378                -0.7868                 3.2460
 Delta2 Fr= 1--      1.0513                -0.1078                 0.4441
 Raman1 Fr= 1--    1196.213                529.165               1113.558
 ROA1   Fr= 1--    -814.784                -78.984                325.829
 CID1   Fr= 1--      -0.681                 -0.149                  0.293
 Raman2 Fr= 1--      61.387                 27.555                 37.365
 ROA2   Fr= 1--    -220.517                -18.021                 74.352
 CID2   Fr= 1--      -3.592                 -0.654                  1.990
 Raman3 Fr= 1--     122.775                 55.110                 74.730
 ROA3   Fr= 1--    -814.784                -78.984                325.829
 CID3   Fr= 1--      -6.636                 -1.433                  4.360
 RC180  Fr= 1--      -0.795                 -0.792                 -0.866
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     71.9759                99.7783               203.8263
  Dep-P Fr= 1--      0.6044                 0.5594                 0.1230
  Dep-U Fr= 1--      0.7534                 0.7175                 0.2190
 Alpha2 Fr= 1--      0.1935                 0.3613                 3.3721
 Beta2  Fr= 1--      9.0383                11.9316                 7.4406
 AlphaG Fr= 1--     -0.3379                -0.8180                 0.4032
 Gamma2 Fr= 1--     16.8878                18.5604               -45.5153
 Delta2 Fr= 1--     10.2167                 9.7537               -26.8892
 Raman1 Fr= 1--     287.904                399.113                815.305
 ROA1   Fr= 1--    1948.161               2093.921              -5229.929
 CID1   Fr= 1--       6.767                  5.246                 -6.415
 Raman2 Fr= 1--     108.459                143.180                 89.287
 ROA2   Fr= 1--     323.573                367.420               -877.254
 CID2   Fr= 1--       2.983                  2.566                 -9.825
 Raman3 Fr= 1--     216.919                286.360                178.573
 ROA3   Fr= 1--    1948.161               2093.921              -5229.929
 CID3   Fr= 1--       8.981                  7.312                -29.287
 RC180  Fr= 1--       0.507                  0.435                 -0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     32.7493               156.8692                39.6777
  Dep-P Fr= 1--      0.7362                 0.7393                 0.7499
  Dep-U Fr= 1--      0.8481                 0.8501                 0.8571
 Alpha2 Fr= 1--      0.0077                 0.0285                 0.0000
 Beta2  Fr= 1--      4.6289                22.2268                 5.6680
 AlphaG Fr= 1--     -0.0186                -0.2492                 0.0009
 Gamma2 Fr= 1--    -14.4046               -16.3282                37.0949
 Delta2 Fr= 1--     -6.8012               -12.6080                23.6483
 Raman1 Fr= 1--     130.997                627.477                158.711
 ROA1   Fr= 1--   -1600.477              -1970.960               4317.857
 CID1   Fr= 1--     -12.218                 -3.141                 27.206
 Raman2 Fr= 1--      55.547                266.721                 68.015
 ROA2   Fr= 1--    -291.300               -291.013                701.092
 CID2   Fr= 1--      -5.244                 -1.091                 10.308
 Raman3 Fr= 1--     111.094                533.442                136.031
 ROA3   Fr= 1--   -1600.477              -1970.960               4317.857
 CID3   Fr= 1--     -14.407                 -3.695                 31.742
 RC180  Fr= 1--       0.696                  0.700                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     53.0474                58.9583               106.9009
  Dep-P Fr= 1--      0.7336                 0.7221                 0.4615
  Dep-U Fr= 1--      0.8463                 0.8386                 0.6316
 Alpha2 Fr= 1--      0.0149                 0.0283                 0.6252
 Beta2  Fr= 1--      7.4826                 8.2407                11.2524
 AlphaG Fr= 1--     -0.0480                 0.0641                -0.2907
 Gamma2 Fr= 1--     -5.8635                 2.6238                 7.3843
 Delta2 Fr= 1--     -2.5025                 2.5622               -17.0701
 Raman1 Fr= 1--     212.190                235.833                427.603
 ROA1   Fr= 1--    -642.976                333.874                162.650
 CID1   Fr= 1--      -3.030                  1.416                  0.380
 Raman2 Fr= 1--      89.791                 98.888                135.029
 ROA2   Fr= 1--    -120.704                 42.473                313.784
 CID2   Fr= 1--      -1.344                  0.430                  2.324
 Raman3 Fr= 1--     179.583                197.776                270.058
 ROA3   Fr= 1--    -642.976                333.874                162.650
 CID3   Fr= 1--      -3.580                  1.688                  0.602
 RC180  Fr= 1--       0.693                  0.677                  0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     34.7169               123.6775               158.8104
  Dep-P Fr= 1--      0.5583                 0.1925                 0.1303
  Dep-U Fr= 1--      0.7165                 0.3229                 0.2305
 Alpha2 Fr= 1--      0.1266                 1.7131                 2.5801
 Beta2  Fr= 1--      4.1459                 6.6555                 6.1009
 AlphaG Fr= 1--      0.0498                 0.7308                 0.5353
 Gamma2 Fr= 1--      0.0494                14.2512                -1.8101
 Delta2 Fr= 1--      0.1924                13.8008                -2.2004
 Raman1 Fr= 1--     138.867                494.710                635.242
 ROA1   Fr= 1--      10.895               1809.735               -244.180
 CID1   Fr= 1--       0.078                  3.658                 -0.384
 Raman2 Fr= 1--      49.750                 79.866                 73.211
 ROA2   Fr= 1--      -0.355                231.622                -25.839
 CID2   Fr= 1--      -0.007                  2.900                 -0.353
 Raman3 Fr= 1--      99.501                159.733                146.423
 ROA3   Fr= 1--      10.895               1809.735               -244.180
 CID3   Fr= 1--       0.109                 11.330                 -1.668
 RC180  Fr= 1--       0.433                 -0.354                 -0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.142588D+03 -0.524962D+01 -0.274018D+01
      2  -0.524962D+01  0.109719D+03  0.141617D+01
      3  -0.274018D+01  0.141617D+01  0.987388D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.446291D+01  0.507774D+00  0.174897D+01
      2   0.260727D+02 -0.570753D+01  0.823186D+01
      3  -0.194669D+02  0.101498D+02  0.826938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.400918D+02 -0.105176D+02  0.973039D+01
      2   0.574824D+01  0.967239D+01 -0.186287D+02
      3   0.343436D+02  0.845207D+00  0.889833D+01
      4  -0.333035D+02 -0.199178D+02 -0.891446D+01
      5   0.173386D+02 -0.114366D+02  0.298860D+02
      6   0.402807D+01 -0.279791D+01 -0.835531D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.225226D+02 -0.634762D+00 -0.149947D+01 -0.268688D+01 -0.175356D+01
      2  -0.634762D+00  0.481151D+00 -0.251577D+00 -0.175356D+01 -0.594187D+01
      3  -0.149947D+01 -0.251577D+00 -0.376031D+01  0.551343D+00 -0.137346D+01
                 6             7             8             9            10 
      1   0.551343D+00 -0.533302D+01 -0.201886D+01 -0.546454D+01 -0.272769D+01
      2  -0.137346D+01 -0.201886D+01  0.505282D+00  0.121337D+01  0.230420D+01
      3   0.734826D+00 -0.546454D+01  0.121337D+01  0.275828D+01 -0.278972D+00
                11            12            13            14            15 
      1   0.230420D+01 -0.278972D+00 -0.473129D+00 -0.195783D+01  0.742460D+00
      2  -0.108781D+01  0.285321D+01 -0.195783D+01  0.562904D+01  0.140868D+01
      3   0.285321D+01 -0.166456D+01  0.742460D+00  0.140868D+01  0.177149D+00
                16            17            18            19            20 
      1  -0.113250D+01  0.422816D+01 -0.115764D+01  0.264724D+02 -0.423012D+01
      2   0.422816D+01  0.215215D+01  0.323011D+00 -0.423012D+01  0.429254D+01
      3  -0.115764D+01  0.323011D+00  0.132601D+01 -0.228759D+01 -0.749534D-01
                21            22            23            24            25 
      1  -0.228759D+01 -0.637701D+01  0.464431D+01  0.812785D+00 -0.634320D+01
      2  -0.749534D-01  0.464431D+01  0.359117D+01  0.235536D+00 -0.561680D-01
      3   0.192641D+01  0.812785D+00  0.235536D+00 -0.229434D+01  0.429505D+01
                26            27            28            29            30 
      1  -0.561680D-01  0.429505D+01 -0.221740D+02  0.489318D+01  0.267948D+01
      2  -0.594704D+00 -0.313709D+01  0.489318D+01 -0.353209D+01 -0.842550D+00
      3  -0.313709D+01 -0.438852D+01  0.267948D+01 -0.842550D+00 -0.318145D+01
                31            32            33            34            35 
      1   0.986214D+01 -0.615509D+01 -0.668764D+00  0.675556D+01 -0.123359D+01
      2  -0.615509D+01  0.127560D+01  0.172887D+00 -0.123359D+01  0.848320D+00
      3  -0.668764D+00  0.172887D+00  0.190212D+01 -0.508793D+01  0.117089D+01
                36            37            38            39            40 
      1  -0.508793D+01  0.113252D+02 -0.296167D+01  0.836848D-01 -0.336113D+01
      2   0.117089D+01 -0.296167D+01 -0.175871D+00 -0.432800D+00  0.130255D+01
      3   0.238509D+01  0.836848D-01 -0.432800D+00  0.259559D+01 -0.460769D+00
                41            42            43            44            45 
      1   0.130255D+01 -0.460769D+00 -0.188761D+00 -0.212781D+00  0.613495D+01
      2   0.611309D+01  0.131725D+01 -0.212781D+00  0.161745D+01 -0.125704D+01
      3   0.131725D+01 -0.140378D+01  0.613495D+01 -0.125704D+01 -0.475732D+01
                46            47            48            49            50 
      1  -0.911695D+00 -0.325743D+01 -0.193747D+01 -0.491448D+01  0.455967D+01
      2  -0.325743D+01  0.192287D+01  0.116618D+00  0.455967D+01 -0.900409D+00
      3  -0.193747D+01  0.116618D+00  0.245935D+01 -0.282466D+00  0.633266D+00
                51            52            53            54            55 
      1  -0.282466D+00 -0.206664D+01 -0.777925D+00  0.440326D+01  0.210915D+01
      2   0.633266D+00 -0.777925D+00  0.228013D+01 -0.340892D+01  0.146535D+01
      3  -0.228987D+01  0.440326D+01 -0.340892D+01  0.190230D+01  0.113421D+01
                56            57            58            59            60 
      1   0.146535D+01  0.113421D+01  0.174777D+01 -0.786915D+00 -0.147617D+00
      2  -0.395643D+00  0.711972D-01 -0.786915D+00 -0.717451D+01 -0.780775D-01
      3   0.711972D-01 -0.958194D+00 -0.147617D+00 -0.780775D-01  0.125995D+01
                61            62            63            64            65 
      1   0.156362D+01  0.199688D+00 -0.103497D+01  0.131622D+02 -0.124091D+01
      2   0.199688D+00  0.529595D+00  0.511597D+00 -0.124091D+01  0.173284D+01
      3  -0.103497D+01  0.511597D+00 -0.492225D+01  0.434345D+01 -0.782751D+00
                66            67            68            69            70 
      1   0.434345D+01  0.227488D+01  0.557501D+01  0.588910D+00  0.119348D+02
      2  -0.782751D+00  0.557501D+01 -0.403348D+01  0.127523D+01 -0.211260D+00
      3   0.288655D+01  0.588910D+00  0.127523D+01  0.924985D+00  0.426926D+01
                71            72            73            74            75 
      1  -0.211260D+00  0.426926D+01  0.415063D+01 -0.102969D+01 -0.183759D+01
      2   0.173903D+00  0.886326D+00 -0.102969D+01  0.347305D+00  0.465524D+00
      3   0.886326D+00 -0.107665D+01 -0.183759D+01  0.465524D+00  0.228435D+01
                76            77            78            79            80 
      1  -0.282720D+01  0.273401D+00  0.234623D+00 -0.231488D+01  0.546576D+00
      2   0.273401D+00 -0.680200D+00 -0.138954D+01  0.546576D+00 -0.180040D+01
      3   0.234623D+00 -0.138954D+01 -0.205859D+01  0.292435D+01 -0.252613D+01
                81            82            83            84            85 
      1   0.292435D+01  0.279947D+01  0.142150D+01 -0.120133D+01  0.115364D+01
      2  -0.252613D+01  0.142150D+01  0.170936D+01 -0.143882D+01  0.138866D+01
      3  -0.802232D+01 -0.120133D+01 -0.143882D+01  0.169695D+01 -0.127388D+01
                86            87            88            89            90 
      1   0.138866D+01 -0.127388D+01 -0.187139D+01 -0.173414D+01  0.147675D+01
      2   0.410968D+01 -0.225240D+01 -0.173414D+01 -0.262185D+01  0.207766D+01
      3  -0.225240D+01  0.198465D+01  0.147675D+01  0.207766D+01 -0.282400D+01
                91            92            93            94            95 
      1   0.187029D+00 -0.143816D+01 -0.637288D+00 -0.174076D+01 -0.120804D+01
      2  -0.143816D+01 -0.103157D+01  0.134570D+00 -0.120804D+01 -0.100463D+02
      3  -0.637288D+00  0.134570D+00  0.193925D+00 -0.178789D-01 -0.168629D+01
                96            97            98            99           100 
      1  -0.178789D-01 -0.206667D+01  0.301772D+00 -0.645232D+00 -0.553933D+00
      2  -0.168629D+01  0.301772D+00 -0.711313D+00 -0.467942D+00 -0.671025D+00
      3  -0.115860D+01 -0.645232D+00 -0.467942D+00 -0.820414D-02 -0.351235D+00
               101           102           103           104           105 
      1  -0.671025D+00 -0.351235D+00 -0.266708D+01 -0.311619D+01 -0.816918D-01
      2  -0.399244D+00 -0.453275D-01 -0.311619D+01 -0.816326D+01 -0.474602D+00
      3  -0.453275D-01 -0.204354D+00 -0.816918D-01 -0.474602D+00 -0.107441D+01
               106           107           108           109           110 
      1  -0.842254D+00 -0.398130D+00 -0.754800D+00 -0.108982D+02  0.133251D+01
      2  -0.398130D+00 -0.103224D+01 -0.865429D+00  0.133251D+01 -0.110454D+01
      3  -0.754800D+00 -0.865429D+00 -0.304401D-01 -0.208297D+01  0.578152D+00
               111           112           113           114           115 
      1  -0.208297D+01  0.485694D+01 -0.150739D+01  0.600593D+00 -0.502376D+01
      2   0.578152D+00 -0.150739D+01  0.769284D+00 -0.846081D+00  0.560311D+00
      3  -0.174512D+01  0.600593D+00 -0.846081D+00  0.967167D+00 -0.304480D+01
               116           117           118           119           120 
      1   0.560311D+00 -0.304480D+01 -0.453287D+01  0.203618D+00  0.193324D+01
      2  -0.116767D+01  0.720784D+00  0.203618D+00 -0.181812D+00  0.559481D-01
      3   0.720784D+00 -0.129982D+01  0.193324D+01  0.559481D-01 -0.185275D+01
               121           122           123           124           125 
      1   0.220792D+01 -0.789612D+00 -0.595018D+00  0.569950D+01  0.558293D+00
      2  -0.789612D+00 -0.158870D+00  0.838694D+00  0.558293D+00  0.110701D+01
      3  -0.595018D+00  0.838694D+00  0.924394D+00 -0.490233D+01  0.325337D+00
               126           127           128           129           130 
      1  -0.490233D+01 -0.528537D+01  0.250253D+01  0.246654D+01  0.231833D+01
      2   0.325337D+00  0.250253D+01 -0.228782D+01 -0.101942D+01 -0.205573D+01
      3   0.717342D+01  0.246654D+01 -0.101942D+01 -0.177064D+01 -0.844728D+00
               131           132           133           134           135 
      1  -0.205573D+01 -0.844728D+00  0.390206D+01 -0.139228D+01 -0.282719D+01
      2   0.190324D+01  0.114737D+01 -0.139228D+01  0.173215D+01  0.205391D+01
      3   0.114737D+01  0.122206D+01 -0.282719D+01  0.205391D+01  0.253454D+01
               136           137           138           139           140 
      1  -0.218982D+01  0.199992D+01 -0.107697D+01  0.196249D+01 -0.211263D+01
      2   0.199992D+01 -0.162398D+01  0.649710D+00 -0.211263D+01  0.354805D+01
      3  -0.107697D+01  0.649710D+00 -0.118481D+01  0.976028D+00 -0.201804D+01
               141           142           143           144           145 
      1   0.976028D+00 -0.268224D+01  0.212057D+01 -0.295165D+01  0.126423D+00
      2  -0.201804D+01  0.212057D+01 -0.430072D+01  0.303865D+01 -0.291247D+00
      3   0.179307D+01 -0.295165D+01  0.303865D+01 -0.454304D+01  0.707534D+00
               146           147           148           149           150 
      1  -0.291247D+00  0.707534D+00 -0.878116D+00  0.619648D+00 -0.290487D+00
      2   0.360259D+00 -0.297590D-01  0.619648D+00  0.110967D+00  0.100391D+01
      3  -0.297590D-01  0.595608D+00 -0.290487D+00  0.100391D+01 -0.690718D+00
               151           152           153           154           155 
      1   0.157646D+01 -0.390912D+00  0.676825D+00  0.272865D+00  0.116139D+01
      2  -0.390912D+00  0.154786D+01  0.980364D+00  0.116139D+01  0.647582D+00
      3   0.676825D+00  0.980364D+00  0.691551D+01 -0.128978D+00  0.763890D-01
               156           157           158           159           160 
      1  -0.128978D+00  0.117341D+01  0.367882D+00  0.573311D-01 -0.508628D+00
      2   0.763890D-01  0.367882D+00  0.118409D+02  0.493632D+00  0.592354D-01
      3   0.192937D+00  0.573311D-01  0.493632D+00  0.868771D+00  0.139715D+00
               161           162           163           164           165 
      1   0.592354D-01  0.139715D+00  0.401033D+01  0.280044D+00 -0.303986D+01
      2  -0.938375D+00  0.108702D+01  0.280044D+00 -0.314028D+01 -0.492143D+00
      3   0.108702D+01  0.321233D+00 -0.303986D+01 -0.492143D+00 -0.179921D+01
               166           167           168           169           170 
      1  -0.986833D-01 -0.450911D+01 -0.836217D+00 -0.413498D+01 -0.643833D+00
      2  -0.450911D+01  0.531366D+01 -0.307654D+01 -0.643833D+00 -0.171173D+01
      3  -0.836217D+00 -0.307654D+01 -0.300128D+01 -0.256249D+01 -0.251187D+01
               171           172           173           174           175 
      1  -0.256249D+01 -0.238703D+01 -0.722096D+00 -0.337047D+01 -0.153524D+01
      2  -0.251187D+01 -0.722096D+00 -0.343185D+01 -0.891625D+00 -0.562890D+01
      3  -0.163021D+00 -0.337047D+01 -0.891625D+00 -0.118324D+01 -0.130239D+01
               176           177           178           179           180 
      1  -0.562890D+01 -0.130239D+01 -0.403911D+01 -0.130661D+01 -0.229608D+01
      2   0.489835D+01 -0.230869D+00 -0.130661D+01 -0.587960D+00 -0.281399D+01
      3  -0.230869D+00 -0.283162D+01 -0.229608D+01 -0.281399D+01  0.467929D+01
               181           182           183           184           185 
      1  -0.564129D+01 -0.293319D+00  0.122161D+01 -0.286684D+00 -0.297382D+00
      2  -0.293319D+00 -0.844825D+00  0.663421D+00 -0.297382D+00 -0.507957D+00
      3   0.122161D+01  0.663421D+00 -0.247654D+01  0.354037D+00  0.550816D+00
               186           187           188           189           190 
      1   0.354037D+00  0.129008D+01  0.291624D+00 -0.109030D+01  0.269451D+01
      2   0.550816D+00  0.291624D+00  0.526750D+00  0.640024D-01  0.748649D+00
      3   0.150913D+00 -0.109030D+01  0.640024D-01  0.145408D+01  0.262214D+01
               191           192           193           194           195 
      1   0.748649D+00  0.262214D+01  0.204739D+01  0.158600D+01  0.180710D+01
      2   0.127454D+01  0.595436D+00  0.158600D+01  0.132230D+01  0.182794D+01
      3   0.595436D+00  0.299163D+01  0.180710D+01  0.182794D+01  0.362920D+01
               196           197           198           199           200 
      1   0.208692D+01  0.782203D+00  0.280709D+01  0.163064D+01 -0.180600D+01
      2   0.782203D+00  0.133274D+01  0.156518D+01 -0.180600D+01  0.233840D+01
      3   0.280709D+01  0.156518D+01  0.531428D+01  0.121353D+01 -0.770058D+00
               201           202           203           204           205 
      1   0.121353D+01 -0.242930D+01  0.318289D+01 -0.105734D+01  0.456902D+00
      2  -0.770058D+00  0.318289D+01 -0.759519D+01  0.282915D+01 -0.265297D+00
      3   0.130674D+01 -0.105734D+01  0.282915D+01 -0.208425D+01  0.848436D+00
               206           207           208           209           210 
      1  -0.265297D+00  0.848436D+00  0.471322D+00  0.485445D+00 -0.878873D+00
      2   0.960672D+00 -0.970097D+00  0.485445D+00  0.409290D+00 -0.645271D-01
      3  -0.970097D+00  0.885189D+00 -0.878873D+00 -0.645271D-01  0.864697D+00
               211           212           213           214           215 
      1   0.121433D+01  0.987378D+00 -0.527669D+00 -0.274953D+01 -0.231501D+00
      2   0.987378D+00  0.383284D+00 -0.104081D+01 -0.231501D+00 -0.127404D+01
      3  -0.527669D+00 -0.104081D+01  0.189470D+01  0.266076D+01  0.146842D+01
               216           217           218           219           220 
      1   0.266076D+01  0.323804D+01 -0.208409D+01  0.187638D+00 -0.508439D+01
      2   0.146842D+01 -0.208409D+01  0.212879D+01  0.149251D+00  0.462326D+01
      3  -0.693791D+01  0.187638D+00  0.149251D+00  0.380980D+00  0.558264D+00
               221           222           223           224           225 
      1   0.462326D+01  0.558264D+00  0.905358D+00  0.583553D-01  0.957759D+00
      2  -0.710573D+01 -0.199422D+00  0.583553D-01  0.146435D+00 -0.624596D+00
      3  -0.199422D+00 -0.103843D+01  0.957759D+00 -0.624596D+00 -0.332340D+00
               226           227           228           229           230 
      1   0.717431D+01  0.186217D+01  0.201600D+01  0.454084D+01  0.276771D+01
      2   0.186217D+01  0.159242D+01  0.726882D+00  0.276771D+01  0.149917D+01
      3   0.201600D+01  0.726882D+00  0.140545D+01  0.110344D+01  0.931774D+00
               231           232           233           234 
      1   0.110344D+01  0.512628D+01  0.116650D+01  0.222576D+01
      2   0.931774D+00  0.116650D+01  0.128055D+01  0.109658D+01
      3   0.149192D+01  0.222576D+01  0.109658D+01  0.165662D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.245096D+01 -0.773410D+00 -0.209370D+01 -0.110431D+01  0.697320D+01
      2  -0.308168D+02  0.529733D+00 -0.320228D+01 -0.293845D+01 -0.418537D+01
      3   0.302583D+02 -0.510724D+01  0.145258D+01  0.179323D+02  0.888131D+01
                 6             7             8             9            10 
      1   0.299296D+00  0.812880D+00  0.425038D+01  0.227275D+01  0.136546D+01
      2   0.236543D-02 -0.208009D+02 -0.164294D+01 -0.543461D+01 -0.338109D+01
      3   0.299308D+01  0.107153D+02 -0.121175D+01  0.597032D+01 -0.674075D+01
                11            12            13            14            15 
      1  -0.287264D+01 -0.592901D+00 -0.651156D+00 -0.771369D+01 -0.424326D+01
      2   0.604664D+01  0.111568D+01 -0.700443D+00  0.169328D+01  0.143104D+01
      3  -0.293179D+01 -0.576724D+01  0.103664D+02 -0.135865D+02  0.173450D+00
                16            17            18            19            20 
      1  -0.162900D+01  0.324088D+01 -0.227446D+01  0.584833D+00  0.124121D-01
      2  -0.457492D+01  0.648903D+01  0.177047D+01  0.256193D+02 -0.299327D+01
      3  -0.123998D+02  0.320666D+00 -0.309483D+01 -0.469284D+02  0.121577D+02
                21            22            23            24            25 
      1   0.412966D+01  0.228074D+01 -0.385610D+01 -0.299431D+01  0.903155D+01
      2  -0.362018D+01 -0.764694D+01  0.463723D+01  0.227234D+01 -0.249439D+02
      3   0.287251D+01  0.238366D+02 -0.743269D+01 -0.351330D+01  0.116207D+02
                26            27            28            29            30 
      1   0.797103D+00 -0.343588D+01  0.471109D+00  0.826092D+00 -0.301757D+01
      2   0.342304D+01  0.864462D+01 -0.249552D+02  0.358539D+01  0.701399D+01
      3  -0.371837D+01 -0.106281D+02  0.419173D+02 -0.169568D+02 -0.574291D+01
                31            32            33            34            35 
      1   0.193058D+01  0.418932D+00  0.142880D+01 -0.743673D+01  0.102224D+02
      2   0.113543D+02 -0.363504D+01 -0.323569D+01  0.357511D+01 -0.286588D+01
      3  -0.176939D+02  0.823728D+01 -0.100708D+01 -0.143686D+02  0.169748D+01
                36            37            38            39            40 
      1   0.377235D+01 -0.501722D+00  0.158564D+00  0.119963D+01  0.815671D+00
      2  -0.620554D+01 -0.238207D+01  0.229217D+01 -0.818397D+01  0.338176D+01
      3   0.851075D+01 -0.224823D+02  0.102856D+01 -0.145479D+01  0.127583D+02
                41            42            43            44            45 
      1   0.296933D+01 -0.277374D+01  0.587745D+01  0.607474D+00 -0.492417D+01
      2  -0.536654D+01  0.531411D+01 -0.316829D+02  0.525910D+01  0.197612D+02
      3   0.218362D+02  0.541000D+01 -0.293256D+01  0.676824D+01 -0.110341D+02
                46            47            48            49            50 
      1   0.325058D+01  0.199803D+00 -0.431067D+01  0.168422D+01 -0.185053D+01
      2   0.629378D+01 -0.177952D+01 -0.386826D+01 -0.156698D+01 -0.194146D+00
      3  -0.941961D+01 -0.570879D+01 -0.469786D+01  0.946280D+01 -0.443382D+01
                51            52            53            54            55 
      1   0.211522D+01 -0.111586D+02  0.114834D+02 -0.198669D+01 -0.191885D+01
      2   0.454614D+01 -0.139535D+02  0.753595D+01 -0.229572D+01 -0.289571D+01
      3   0.254345D+01 -0.668080D+01  0.773118D+01 -0.272169D+01  0.909852D+01
                56            57            58            59            60 
      1  -0.840211D+00  0.238703D+01  0.301904D+00 -0.675479D+01 -0.497038D+01
      2  -0.451002D+00  0.161980D+01 -0.240129D+01  0.118538D+01 -0.678533D+00
      3   0.533246D+01  0.436790D+01  0.113308D+02 -0.493822D+01  0.455539D+00
                61            62            63            64            65 
      1   0.290970D+01  0.265253D+01  0.118679D+02 -0.284006D+00  0.239013D+01
      2  -0.185643D+01 -0.118664D+01  0.275645D+01  0.264631D+02 -0.240566D+01
      3   0.433787D+01 -0.104961D+00 -0.112641D+01 -0.718922D+01 -0.950318D+01
                66            67            68            69            70 
      1   0.182416D+01 -0.459549D+01  0.245915D+01 -0.434522D+01 -0.188604D+01
      2   0.116685D+02  0.612334D+01  0.386694D+01  0.332469D+01  0.885920D+01
      3   0.517999D-01 -0.135844D+02  0.795543D+01 -0.274067D+01 -0.944267D+01
                71            72            73            74            75 
      1   0.491797D+01 -0.282161D+00 -0.145902D+01 -0.461735D+00  0.127637D+01
      2   0.395541D+01 -0.476231D+00  0.498258D+01 -0.988684D+00  0.727026D+00
      3  -0.138950D+01 -0.551374D+01 -0.409347D+01 -0.910886D+00  0.107220D+01
                76            77            78            79            80 
      1   0.284722D+00  0.115328D+00 -0.546146D+00  0.195445D+01  0.338962D+01
      2  -0.392540D+01 -0.735814D+00 -0.131478D+01 -0.315946D+01 -0.945372D+00
      3   0.690949D+01 -0.456718D+00  0.375961D+00  0.150928D+01  0.172269D+01
                81            82            83            84            85 
      1  -0.238350D+01  0.516606D+00  0.720554D-02 -0.170269D+01  0.447649D+00
      2  -0.234096D+01  0.206370D+01 -0.794927D+00  0.208665D+01 -0.315634D+00
      3  -0.876349D+00  0.143468D+01 -0.174429D+01  0.415847D-01  0.351070D+01
                86            87            88            89            90 
      1  -0.119548D+01 -0.273103D+01 -0.907608D+00  0.635883D+00  0.279286D+01
      2  -0.110242D+01  0.123024D+01 -0.194996D+01  0.130297D+00 -0.216353D+01
      3  -0.382672D+01  0.114011D+01 -0.522070D+00  0.195526D+01  0.367930D-03
                91            92            93            94            95 
      1  -0.782313D+00  0.122212D+01 -0.413885D+00  0.102750D+01  0.598080D+01
      2   0.414251D+00 -0.133650D+01 -0.201269D+00 -0.174200D+01 -0.557300D+00
      3  -0.480145D+00 -0.587740D-01  0.100273D+01  0.454604D+01 -0.719807D+01
                96            97            98            99           100 
      1  -0.415543D+01 -0.380939D+01  0.100672D+01  0.978263D+00 -0.674439D+00
      2   0.150280D+01 -0.223735D+01 -0.369933D-01 -0.861395D+00  0.127393D+01
      3  -0.976143D+00  0.564165D+01 -0.906751D+00  0.595185D+00 -0.270879D+01
               101           102           103           104           105 
      1  -0.438110D+00 -0.137733D+00 -0.539726D+00 -0.209988D+01 -0.399242D+01
      2   0.343406D+00  0.142883D+01  0.202533D+00  0.164829D+01  0.424519D+01
      3  -0.222654D+01  0.357006D+00 -0.443711D+01 -0.263875D+02 -0.188558D+01
               106           107           108           109           110 
      1  -0.131628D+00 -0.154576D+00 -0.498154D+00 -0.348996D+00  0.857380D+00
      2   0.132808D+01  0.236212D+01  0.373664D-01  0.789575D+01 -0.204750D+01
      3  -0.176348D+00 -0.332110D+01 -0.183079D+01  0.148287D+02 -0.776588D+01
               111           112           113           114           115 
      1  -0.109058D+01  0.274067D+00 -0.902927D+00 -0.152671D+00 -0.136810D+01
      2   0.887994D+01 -0.311173D+01  0.305738D+01 -0.409457D+01  0.107799D+02
      3   0.408641D+01 -0.822190D+01  0.441498D+01 -0.362586D+01  0.630889D+01
               116           117           118           119           120 
      1   0.156197D+01 -0.801488D+00  0.206387D+01 -0.645018D+00 -0.171807D+01
      2  -0.284170D+01  0.505483D+01 -0.650210D+01 -0.564149D+00  0.769188D+01
      3  -0.591703D+01  0.531301D+01  0.613644D+01 -0.213240D+01 -0.205140D+01
               121           122           123           124           125 
      1  -0.891198D+00  0.100239D+01  0.470676D+00 -0.328860D+01  0.318255D+01
      2   0.181704D+01 -0.273279D+01 -0.362596D+01  0.163552D+02 -0.130487D+01
      3  -0.267891D+01  0.259535D+00  0.299500D+01 -0.400025D+01  0.475375D+01
               126           127           128           129           130 
      1   0.680644D+01 -0.438840D+01  0.100331D+01  0.377251D+01  0.982390D+00
      2  -0.270305D+02 -0.484666D+01  0.289273D+01  0.560786D+01  0.183232D+01
      3   0.615192D+01 -0.362143D+01 -0.439512D+01  0.151217D+01  0.680180D+00
               131           132           133           134           135 
      1  -0.139405D+01 -0.287483D+01  0.480930D+01 -0.142831D+01 -0.442069D+01
      2  -0.262245D+01 -0.331113D+01  0.394627D+01 -0.463188D+01 -0.636590D+01
      3   0.924889D+00  0.891589D+00  0.490060D+01  0.236758D+01  0.152320D+00
               136           137           138           139           140 
      1   0.168171D+01 -0.962978D+00  0.218820D+01 -0.106762D+01  0.204354D+01
      2   0.132603D+01 -0.613111D+00  0.352447D+01 -0.300236D+00  0.303192D+01
      3   0.122916D+01 -0.159087D+01  0.163825D+00 -0.541623D+00  0.664031D+01
               141           142           143           144           145 
      1  -0.444956D+01  0.573913D+01 -0.395500D+01  0.774306D+01 -0.267257D+01
      2  -0.387790D+01  0.384980D+01 -0.558613D+01  0.871126D+01 -0.833076D+00
      3  -0.287560D+01  0.422323D+00 -0.908328D+01  0.295560D+01 -0.904625D-01
               146           147           148           149           150 
      1   0.123908D+01 -0.196479D+01  0.174978D+01 -0.270146D+01  0.219130D+01
      2   0.667434D+00 -0.305949D+00  0.215038D+01 -0.202495D+01  0.110090D+01
      3  -0.268084D+01  0.168931D+01 -0.189940D+01  0.973159D+00  0.560041D-01
               151           152           153           154           155 
      1  -0.218843D+01  0.226131D+01 -0.152893D+02  0.937374D+00  0.373296D+00
      2  -0.420342D+01  0.195666D+00 -0.354150D+01  0.595015D+00 -0.542939D+00
      3   0.437323D+01 -0.583610D+00  0.125601D+01  0.801649D+00  0.138672D+01
               156           157           158           159           160 
      1  -0.557422D+00 -0.879058D-01  0.445693D+01 -0.457587D+01 -0.648115D+00
      2   0.910164D+00 -0.122094D+01 -0.790784D+00 -0.274970D+00 -0.599425D+00
      3  -0.825625D+00  0.704152D+01  0.510018D+01  0.224146D+00 -0.140987D+01
               161           162           163           164           165 
      1  -0.152311D+01 -0.263642D+00 -0.134725D+01 -0.669588D+01 -0.239928D+01
      2  -0.371932D+00 -0.536352D+00 -0.161663D+02 -0.239778D+01  0.677367D+01
      3  -0.646902D+00  0.110730D+01 -0.382280D+01  0.314883D+01  0.379394D+01
               166           167           168           169           170 
      1  -0.101997D+02  0.819676D+01 -0.115699D+02 -0.342658D+01 -0.471743D+01
      2  -0.382637D+01  0.165987D+01 -0.360774D+01 -0.147733D+00 -0.319625D+01
      3   0.101734D+02 -0.652548D+01  0.584214D+01  0.489319D+01  0.420022D+01
               171           172           173           174           175 
      1  -0.605372D+01 -0.105111D+01  0.102440D+01 -0.400665D+00  0.250235D+01
      2   0.157621D+01 -0.136723D+02 -0.344709D+01 -0.576371D+01 -0.490584D+01
      3   0.641598D+01  0.448978D+01  0.126818D+02  0.444084D+01  0.265861D+02
               176           177           178           179           180 
      1  -0.258714D+01 -0.247880D+01 -0.383128D+00  0.111102D+01  0.312495D+01
      2  -0.437830D+01 -0.110395D+02 -0.155501D+02 -0.104890D+02  0.162996D+02
      3  -0.160491D+02  0.129600D+01  0.666866D+01  0.195534D+01  0.111561D+02
               181           182           183           184           185 
      1   0.264311D+00 -0.261674D+01 -0.116388D+01 -0.161872D+01  0.585633D+00
      2   0.190074D+02  0.956448D+00 -0.413050D+01  0.820754D+00  0.203886D+01
      3   0.629292D+01 -0.275576D+00 -0.151428D+01  0.228147D+01  0.753292D+00
               186           187           188           189           190 
      1  -0.190377D+00 -0.818317D+00  0.183301D+01  0.979840D+00  0.367411D+01
      2  -0.386369D+00 -0.609960D+01 -0.455903D+00  0.364223D+01  0.572470D+00
      3  -0.717053D+00 -0.141598D+01 -0.160713D-01  0.797228D+00 -0.277641D+01
               191           192           193           194           195 
      1   0.408656D+01  0.333429D+01  0.436607D+01  0.531666D+01  0.493930D+01
      2  -0.435826D+00  0.297967D+01 -0.119575D+01  0.127434D+01  0.463499D+01
      3  -0.385586D+01 -0.295264D+01 -0.285934D+01 -0.405151D+01 -0.437463D+01
               196           197           198           199           200 
      1   0.411131D+01  0.595208D+01  0.703554D+01 -0.224262D+01  0.419873D+01
      2  -0.196980D+01  0.135189D+01  0.586842D+01 -0.392736D+00  0.120257D+01
      3  -0.204552D+01 -0.381066D+01 -0.467719D+01  0.148626D+01 -0.389892D+01
               201           202           203           204           205 
      1   0.906062D+00  0.533554D+01 -0.124387D+02  0.520254D+00 -0.141654D-01
      2   0.187919D+01  0.319759D+01  0.563740D+00 -0.326744D+01 -0.584377D+00
      3   0.742378D+00 -0.709923D+00  0.111718D+02 -0.411829D+01 -0.268518D+00
               206           207           208           209           210 
      1   0.233249D+01 -0.925624D+00 -0.599177D+00 -0.394006D+00  0.369443D+00
      2  -0.715173D+00  0.439061D+00 -0.318505D+01 -0.213105D-01  0.352272D+01
      3  -0.135458D+01  0.842040D+00 -0.171211D+01 -0.199118D+01  0.774114D+00
               211           212           213           214           215 
      1  -0.422046D+00 -0.106644D+01  0.216894D+00  0.757335D+00  0.383224D+01
      2  -0.300687D+00 -0.264774D+01  0.656245D+01  0.379868D+01  0.524892D+01
      3  -0.225703D+01 -0.191441D+01  0.367478D+01  0.112991D+01  0.530233D+01
               216           217           218           219           220 
      1  -0.259297D+01  0.945084D+00 -0.950033D+00  0.765681D+00 -0.115665D+01
      2  -0.228129D+02  0.206503D+01 -0.490421D+00  0.289446D+01 -0.384383D+00
      3  -0.624683D+01  0.587218D+01 -0.833801D+01 -0.707511D+00 -0.112788D+02
               221           222           223           224           225 
      1   0.323296D+01 -0.313227D+01  0.315925D+00  0.409217D+00  0.108575D+00
      2   0.171838D+01 -0.453758D+01  0.231904D+01 -0.162076D+01 -0.768680D+00
      3   0.242077D+02  0.204335D+00 -0.126990D+01 -0.515646D+00  0.145052D+01
               226           227           228           229           230 
      1   0.644615D-01  0.516807D-01 -0.589198D+00 -0.276780D+00  0.102129D+00
      2   0.100848D+02  0.350055D+01  0.832434D+01  0.560310D+01  0.459805D+01
      3  -0.915219D+01 -0.853102D+01 -0.341480D+01 -0.994786D+01 -0.718296D+01
               231           232           233           234 
      1  -0.137827D+01  0.147610D+00  0.966016D+00 -0.642363D+00
      2   0.708494D+01  0.819668D+01  0.456759D+01  0.764400D+01
      3  -0.381320D+01 -0.558873D+01 -0.619453D+01 -0.492462D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.313432D+01  0.694264D+00 -0.709355D+01  0.460216D+01 -0.396704D+01
      2   0.877159D+01 -0.219334D+01 -0.158953D+01 -0.244789D+01  0.595423D+01
      3  -0.119059D+02  0.149907D+01  0.868309D+01 -0.215427D+01 -0.198719D+01
      4   0.144767D+02  0.246775D+01 -0.159246D+01 -0.178460D+01 -0.102803D+01
      5   0.171029D+01 -0.297792D+01 -0.913843D+01  0.244327D+01 -0.171047D+01
      6  -0.187767D-01 -0.998286D+00  0.198450D+01  0.309744D+00  0.788911D+01
                 6             7             8             9            10 
      1   0.518680D+01 -0.215215D+02  0.824861D+00  0.914810D+01 -0.774853D+01
      2   0.288203D+00  0.311474D+00  0.370294D+01  0.680886D+01  0.548614D+01
      3  -0.547501D+01  0.212100D+02 -0.452780D+01 -0.159570D+02  0.226239D+01
      4  -0.151105D+01 -0.465646D+01  0.381021D+01  0.724178D+01  0.435781D+01
      5   0.240963D+01 -0.134651D+02  0.488172D+01  0.116374D+02  0.161298D+00
      6  -0.105618D+01  0.825051D+01 -0.195528D+01 -0.909059D+01  0.364468D+01
                11            12            13            14            15 
      1   0.809342D+01 -0.529323D+01  0.682900D+01 -0.107251D+02 -0.127938D+01
      2  -0.542425D+00  0.515768D+01 -0.246466D+01  0.127850D+02  0.341134D+01
      3  -0.755099D+01  0.135556D+00 -0.436434D+01 -0.205990D+01 -0.213196D+01
      4  -0.457107D+01  0.751747D+01 -0.667330D+01  0.196364D+01  0.680724D+01
      5   0.727675D+01 -0.453350D+01  0.185679D+01  0.442897D+01 -0.338859D+01
      6   0.457091D+01 -0.550350D+01  0.655250D+01  0.386977D+01 -0.363132D+01
                16            17            18            19            20 
      1  -0.770131D+01  0.675212D+01 -0.275157D+01 -0.509557D+02  0.133070D+02
      2   0.642988D+01 -0.172973D+01  0.145837D+01  0.194616D+02 -0.104123D+02
      3   0.127143D+01 -0.502239D+01  0.129320D+01  0.314941D+02 -0.289471D+01
      4   0.114165D+02  0.620189D+01 -0.362959D+01 -0.138410D+02 -0.694228D+01
      5  -0.551340D+01 -0.264976D+01  0.430086D+01 -0.146159D+01  0.145496D+01
      6  -0.533925D+01 -0.567478D+01  0.689139D+01  0.514741D+01 -0.151604D+01
                21            22            23            24            25 
      1   0.420396D+01  0.283657D+02  0.387811D+01 -0.286144D+01  0.177487D+02
      2  -0.546493D+00 -0.223605D+02 -0.185795D+02 -0.271766D+01 -0.334525D+00
      3  -0.365747D+01 -0.600527D+01  0.147014D+02  0.557910D+01 -0.174142D+02
      4   0.182366D+01 -0.175470D+01 -0.109276D+02 -0.130155D+01  0.320496D+01
      5  -0.169032D+01 -0.481668D+01 -0.267237D+01  0.227725D+01  0.111374D+01
      6  -0.488047D+01 -0.565495D+01 -0.731144D+01  0.549330D+01 -0.120761D+02
                26            27            28            29            30 
      1  -0.392877D+01 -0.248925D+02  0.671301D+02 -0.230141D+02 -0.139206D+02
      2  -0.496370D+01  0.133224D+01 -0.350605D+02  0.113958D+02  0.350113D+01
      3   0.889247D+01  0.235603D+02 -0.320697D+02  0.116183D+02  0.104194D+02
      4   0.419471D+01  0.218990D+01  0.260588D+01  0.505745D+01  0.149159D+01
      5   0.387484D+01  0.984530D+01 -0.160895D+01  0.340127D+01  0.101440D+02
      6   0.130481D+02  0.124717D+02 -0.479959D+01  0.664771D+01  0.508545D+01
                31            32            33            34            35 
      1  -0.237804D+02  0.916303D+01  0.248832D+01 -0.144249D+02  0.512126D+01
      2   0.923252D+01  0.396349D+01  0.113970D+01  0.402532D+01 -0.170132D+01
      3   0.145479D+02 -0.131265D+02 -0.362803D+01  0.103996D+02 -0.341994D+01
      4   0.131134D+02  0.217487D+01 -0.391777D+00  0.631466D+00  0.998391D+00
      5  -0.141765D+01  0.308967D+01 -0.432519D+01  0.245872D+02 -0.485120D+01
      6   0.636668D+01 -0.542234D+01 -0.311213D+01  0.610977D+01  0.199200D+01
                36            37            38            39            40 
      1   0.117101D+02 -0.584110D+02  0.225116D+02 -0.957619D+01  0.321410D+02
      2  -0.122447D+02  0.363679D+02 -0.126247D+02  0.278068D+01 -0.234222D+02
      3   0.534602D+00  0.220431D+02 -0.988683D+01  0.679551D+01 -0.871880D+01
      4  -0.442591D+00  0.108718D+02  0.279621D+01  0.354965D+01 -0.505378D+01
      5  -0.406637D+01 -0.130951D+02  0.363588D+01 -0.197270D+02  0.498162D+01
      6  -0.656366D+01  0.644639D+00 -0.274344D+00 -0.257195D+01 -0.897138D+00
                41            42            43            44            45 
      1   0.700563D+01  0.728038D+01 -0.164963D+02  0.719217D+01 -0.277755D+02
      2  -0.200418D+02 -0.487663D+01  0.109919D+01 -0.608565D+01  0.256268D+02
      3   0.130362D+02 -0.240375D+01  0.153971D+02 -0.110651D+01  0.214874D+01
      4  -0.371919D+02 -0.800335D+01  0.303628D+01 -0.909252D+01  0.324248D+01
      5  -0.100544D+02  0.104619D+02 -0.479508D+02  0.997805D+01  0.335915D+02
      6  -0.259051D+01  0.242720D+01 -0.743965D+01  0.192149D+01  0.713078D+01
                46            47            48            49            50 
      1   0.761408D+01  0.662008D+01  0.788825D+01  0.686815D+01 -0.120829D+02
      2  -0.535899D+01 -0.257067D+01 -0.361091D+01 -0.778025D+00  0.912618D+01
      3  -0.225508D+01 -0.404941D+01 -0.427734D+01 -0.609013D+01  0.295669D+01
      4   0.142145D+02 -0.147512D+02 -0.675524D+01 -0.231751D+02  0.663573D+01
      5   0.105487D+02 -0.474274D+01 -0.126127D+02  0.900434D+00 -0.346287D+01
      6  -0.864533D+01 -0.238584D+01  0.102387D+02 -0.524951D+01  0.874335D+01
                51            52            53            54            55 
      1  -0.110001D+01  0.806995D+01 -0.457142D+01 -0.604113D+01 -0.102896D+02
      2   0.191546D+01 -0.412512D+01  0.401565D+01  0.818198D+00  0.828265D+01
      3  -0.815451D+00 -0.394483D+01  0.555773D+00  0.522293D+01  0.200691D+01
      4  -0.142652D+01 -0.111126D+01 -0.870679D+01  0.213962D+02  0.753403D+00
      5   0.105977D+02 -0.236108D+02  0.186637D+02 -0.520538D+01 -0.102762D+01
      6  -0.102593D+02  0.190532D+02 -0.204539D+02  0.919044D+01  0.700760D+01
                56            57            58            59            60 
      1   0.181541D+01 -0.557705D+00 -0.215293D+01  0.278326D+02 -0.160926D+01
      2  -0.580883D+01  0.104979D+01 -0.637356D+00 -0.472014D+02 -0.132242D+01
      3   0.399342D+01 -0.492083D+00  0.279028D+01  0.193688D+02  0.293167D+01
      4   0.986487D+00  0.269954D+01  0.589035D+01  0.345620D+01 -0.632180D+00
      5   0.165390D+01  0.310756D+00 -0.732215D+00 -0.132770D+01 -0.159828D+00
      6  -0.808082D-01 -0.219867D+01 -0.338643D+00 -0.276710D+01  0.419785D+01
                61            62            63            64            65 
      1  -0.110777D+01 -0.183538D+01  0.106421D+02  0.489254D+01 -0.362913D+01
      2   0.818340D+00  0.539484D+01  0.682482D+01 -0.899977D+01  0.747119D+00
      3   0.289432D+00 -0.355946D+01 -0.174669D+02  0.410722D+01  0.288202D+01
      4  -0.287575D+00  0.329125D+00 -0.479698D+01 -0.792175D+01  0.742203D+01
      5   0.397534D+01 -0.161602D+01  0.567927D+00  0.156693D+02 -0.162910D+01
      6  -0.328032D+01  0.348556D+01 -0.153768D+02 -0.468528D+01  0.285591D+01
                66            67            68            69            70 
      1   0.153475D+02 -0.500300D+01  0.146398D+02 -0.119984D+01  0.216988D+02
      2  -0.967192D+01  0.172296D+01 -0.670442D+01 -0.928267D+00 -0.130714D+02
      3  -0.567561D+01  0.328004D+01 -0.793539D+01  0.212811D+01 -0.862741D+01
      4  -0.356764D+01  0.171348D+02 -0.144749D+02  0.292477D+01 -0.558188D+01
      5   0.960212D+01 -0.164340D+00  0.464298D+01  0.450167D+01  0.160515D+02
      6   0.295541D+00  0.644086D-01 -0.411822D+01  0.166399D+01 -0.304354D+01
                71            72            73            74            75 
      1  -0.211679D+01  0.528479D+01 -0.167450D+01 -0.276400D-01  0.380747D+01
      2  -0.879345D+00 -0.718712D+01 -0.512765D+01  0.140926D+01  0.415473D+01
      3   0.299613D+01  0.190233D+01  0.680215D+01 -0.138162D+01 -0.796220D+01
      4   0.120742D+01  0.276816D+01 -0.604260D+01  0.435435D+01  0.359113D+01
      5   0.412118D+01 -0.587873D+01 -0.803324D+01  0.333325D+01  0.120311D+02
      6   0.276775D+01  0.182055D+01  0.437549D+01 -0.227592D+01 -0.376036D+01
                76            77            78            79            80 
      1   0.343539D+01 -0.647742D+01 -0.681893D+01  0.559166D+01 -0.718851D+01
      2  -0.571072D+00  0.116199D+01 -0.306309D+00  0.585789D+01 -0.228273D+01
      3  -0.286431D+01  0.531543D+01  0.712524D+01 -0.114495D+02  0.947124D+01
      4   0.426240D+01 -0.201785D+01 -0.362029D+01  0.484644D+01 -0.403395D+01
      5   0.342040D+01 -0.370134D+01 -0.426352D+01  0.135453D+02 -0.581073D+01
      6  -0.251923D+01  0.556237D+01  0.974678D+01 -0.427026D+01  0.986734D+01
                81            82            83            84            85 
      1  -0.252136D+02  0.566949D+01 -0.162633D+01  0.815379D+00 -0.738909D+00
      2  -0.142803D+02 -0.182244D+01  0.277681D+01 -0.418071D+00  0.268991D+01
      3   0.394939D+02 -0.384705D+01 -0.115048D+01 -0.397308D+00 -0.195100D+01
      4  -0.719648D+01  0.106683D+02  0.116862D+02 -0.788619D+01  0.107663D+02
      5  -0.187453D+02 -0.686418D+01 -0.645660D+01  0.816455D+01 -0.544773D+01
      6   0.161001D+02 -0.745588D+01 -0.667701D+01  0.650053D+01 -0.675638D+01
                86            87            88            89            90 
      1  -0.103993D+02  0.484642D+01  0.164055D+00  0.487019D+01 -0.652020D+01
      2   0.134617D+02 -0.471635D+01 -0.213322D-01 -0.443588D+01  0.271110D+00
      3  -0.306243D+01 -0.130073D+00 -0.142723D+00 -0.434312D+00  0.624909D+01
      4   0.155451D+02 -0.897327D+01 -0.849775D+01 -0.972613D+01  0.967065D+01
      5  -0.726623D+01  0.588772D+01  0.764573D+01  0.711325D+01 -0.937372D+01
      6  -0.144124D+02  0.123773D+02  0.738166D+01  0.131571D+02 -0.134864D+02
                91            92            93            94            95 
      1  -0.288676D+01  0.690486D+00  0.188058D+01  0.158786D+01 -0.319976D+02
      2   0.408052D+01  0.297038D+01 -0.658322D+00  0.196076D+01  0.467184D+02
      3  -0.119376D+01 -0.366087D+01 -0.122226D+01 -0.354861D+01 -0.147208D+02
      4   0.283828D+01  0.961322D+01  0.126345D+01  0.896999D+01  0.192412D+02
      5   0.113532D+01  0.165920D+01  0.154013D+01  0.222104D+01  0.504014D+01
      6   0.369222D+01  0.539840D-01  0.272663D-01  0.119546D+01  0.155402D+02
                96            97            98            99           100 
      1  -0.676459D+01  0.328934D+01 -0.336275D+01 -0.101474D+01  0.415113D+01
      2   0.627855D+01 -0.322747D+01  0.355983D+01  0.297802D+01  0.766407D+00
      3   0.486049D+00 -0.618679D-01 -0.197088D+00 -0.196327D+01 -0.491754D+01
      4   0.319718D+01  0.142756D+01 -0.208801D+00  0.913665D+00  0.596477D+01
      5   0.309945D+01  0.223976D+01  0.105021D+01 -0.306077D+00  0.248385D+01
      6   0.937637D+01  0.321866D+01  0.498013D+01  0.140752D+01  0.759536D+00
               101           102           103           104           105 
      1   0.534493D+01  0.252732D+01  0.989994D+01 -0.696693D+01 -0.774106D+00
      2  -0.162772D+01 -0.961029D+00  0.380816D+01  0.305555D+02  0.186539D+01
      3  -0.371721D+01 -0.156630D+01 -0.137081D+02 -0.235886D+02 -0.109129D+01
      4   0.882966D+01  0.804416D+00  0.264292D+02  0.548863D+02  0.352686D+01
      5   0.205494D+00  0.284231D+01  0.902746D+00  0.447892D+01  0.807159D+01
      6   0.165038D+00  0.131997D+00  0.400444D+00  0.303271D+00  0.659080D+01
               106           107           108           109           110 
      1   0.470112D+01 -0.976346D+00  0.394507D+00  0.825929D+02 -0.119189D+02
      2  -0.106558D+01  0.286369D+01  0.542283D+00 -0.451513D+02  0.781368D+01
      3  -0.363554D+01 -0.188735D+01 -0.936790D+00 -0.374416D+02  0.410517D+01
      4   0.348878D+01  0.711010D+01  0.546301D+01 -0.117784D+01  0.102708D+02
      5   0.657847D+01  0.532137D+01  0.207084D+00  0.250923D+02 -0.474175D+01
      6   0.220154D+01  0.617685D+01  0.140465D+01  0.107518D+01 -0.131335D+00
               111           112           113           114           115 
      1   0.181686D+02 -0.344433D+02  0.982992D+01 -0.541439D+01  0.387403D+02
      2  -0.105800D+02  0.197044D+02 -0.406497D+01  0.392448D+01 -0.216320D+02
      3  -0.758858D+01  0.147389D+02 -0.576495D+01  0.148991D+01 -0.171083D+02
      4  -0.233104D+01  0.104633D+02 -0.598111D+01  0.594369D+01 -0.740995D+00
      5   0.176227D+02 -0.853400D+01  0.712006D+01 -0.807512D+01  0.299776D+02
      6   0.201985D+01  0.149955D+01 -0.474726D+00  0.626115D+00  0.267544D+01
               116           117           118           119           120 
      1  -0.528830D+01  0.179157D+02  0.261789D+02 -0.245731D+01 -0.109785D+02
      2   0.455846D+01 -0.142687D+02 -0.179310D+02  0.179736D+01  0.866668D+01
      3   0.729838D+00 -0.364703D+01 -0.824788D+01  0.659955D+00  0.231180D+01
      4   0.871091D+01 -0.259733D+01  0.319445D+01  0.324704D+01 -0.239557D+01
      5  -0.601284D+01  0.129838D+02 -0.150383D+02 -0.355506D+00  0.185656D+02
      6   0.117631D+01  0.194063D+00 -0.301225D+01 -0.660890D+00  0.306133D+01
               121           122           123           124           125 
      1  -0.133965D+02  0.123477D+01  0.228456D+01 -0.246023D+02 -0.169200D+01
      2   0.965063D+01 -0.539178D+00 -0.372694D+01  0.217341D+02 -0.120208D+01
      3   0.374585D+01 -0.695594D+00  0.144238D+01  0.286816D+01  0.289408D+01
      4   0.536461D+01  0.135031D+01 -0.557636D+01 -0.888106D+01 -0.947783D+01
      5   0.416674D+01 -0.565582D+01 -0.653641D+01  0.413030D+02 -0.222441D+01
      6  -0.169784D+01  0.217714D-01  0.300960D+01  0.758862D+01  0.419151D+01
               126           127           128           129           130 
      1   0.144736D+02  0.211594D+02 -0.608394D+01 -0.886355D+01 -0.476816D+01
      2  -0.250315D+02 -0.868316D+01 -0.389310D+00  0.454240D+01 -0.170896D+01
      3   0.105579D+02 -0.124762D+02  0.647325D+01  0.432116D+01  0.647712D+01
      4   0.195203D+01 -0.222939D+02  0.171054D+02  0.965851D+01  0.151576D+02
      5  -0.529039D+02 -0.167217D+02  0.669819D+01  0.125805D+02  0.542452D+01
      6  -0.110992D+02  0.876510D+01 -0.449812D+01 -0.690445D+01 -0.442320D+01
               131           132           133           134           135 
      1   0.151627D+01  0.329708D+00 -0.122771D+02  0.637833D+00  0.343225D+01
      2   0.411352D+01  0.202663D+01  0.691783D+01  0.202983D+01 -0.397391D+01
      3  -0.562980D+01 -0.235634D+01  0.535928D+01 -0.266767D+01  0.541667D+00
      4  -0.135129D+02 -0.725744D+01  0.143427D+02 -0.119806D+02 -0.134932D+02
      5  -0.659352D+01 -0.649502D+01  0.178123D+02 -0.110099D+02 -0.151150D+02
      6   0.586810D+01  0.710557D+01 -0.107613D+02  0.103704D+02  0.923692D+01
               136           137           138           139           140 
      1   0.581509D+01 -0.455106D+01  0.295415D+01 -0.129045D+01 -0.463370D+01
      2  -0.202926D+01  0.519567D+00 -0.209454D+01 -0.277038D+01  0.917039D+01
      3  -0.378583D+01  0.403149D+01 -0.859610D+00  0.406083D+01 -0.453669D+01
      4  -0.129957D+02  0.125215D+02 -0.552104D+01  0.136313D+02 -0.158032D+02
      5   0.735596D+01 -0.450663D+01  0.931115D+01 -0.492683D+01  0.927562D+01
      6  -0.587751D+01  0.424053D+01 -0.534076D+01  0.658237D+01 -0.130203D+02
               141           142           143           144           145 
      1   0.283653D+01  0.431848D+01  0.526602D+01 -0.239975D+01  0.508390D+00
      2  -0.418172D+01 -0.227506D+01 -0.655398D+01 -0.291547D+01 -0.371100D+01
      3   0.134519D+01 -0.204342D+01  0.128797D+01  0.531522D+01  0.320261D+01
      4   0.976544D+01 -0.143911D+02  0.188820D+02 -0.165076D+02  0.444504D+00
      5  -0.822927D+01  0.171506D+02 -0.148388D+02  0.201692D+02  0.119457D+01
      6   0.124831D+02 -0.143118D+02  0.197814D+02 -0.211537D+02  0.683184D+00
               146           147           148           149           150 
      1  -0.997376D+00 -0.940207D+00  0.170653D+00 -0.395729D+01 -0.798455D+00
      2   0.178859D+01 -0.658168D+00  0.139009D+01  0.270390D+01  0.398769D+01
      3  -0.791210D+00  0.159838D+01 -0.156075D+01  0.125338D+01 -0.318923D+01
      4   0.229466D+01  0.167688D+01 -0.539039D-01  0.138095D+00  0.179674D+00
      5  -0.528002D+00  0.537925D+01 -0.602551D+00  0.827009D+00 -0.253377D+00
      6   0.148273D+01  0.147351D+01  0.958647D+00  0.153282D+01  0.242756D+01
               151           152           153           154           155 
      1  -0.688671D+00 -0.703237D+01 -0.188231D+02 -0.147192D+01 -0.315623D+01
      2  -0.144696D+01  0.522603D+01 -0.887811D+01  0.614183D+01  0.464011D+01
      3   0.213563D+01  0.180634D+01  0.277012D+02 -0.466991D+01 -0.148388D+01
      4   0.354339D+01  0.391777D+00  0.235891D+01  0.803882D-01  0.962642D+01
      5   0.394921D+01 -0.644751D+00 -0.687189D+00  0.173763D+00  0.840663D+00
      6   0.111673D+01  0.859831D+01  0.221787D+02 -0.550751D+00  0.378878D+00
               156           157           158           159           160 
      1  -0.359759D+00 -0.164984D+01 -0.455604D+02 -0.252741D+01  0.598684D-01
      2  -0.165764D-01  0.162546D+01  0.762243D+02  0.257956D+01  0.115589D+00
      3   0.376336D+00  0.243815D-01 -0.306639D+02 -0.521425D-01 -0.175457D+00
      4  -0.229307D+00  0.777200D+01 -0.254582D+01 -0.933042D-01 -0.936987D+00
      5   0.141879D+01  0.290416D+00  0.706457D+00 -0.251619D+00  0.528521D+00
      6   0.831010D+00  0.246875D+00  0.651379D+01  0.801394D+01  0.689751D+00
               161           162           163           164           165 
      1   0.261470D+01 -0.578229D+01  0.202310D+02 -0.219633D+01 -0.549143D+01
      2  -0.508887D+01  0.558834D+01 -0.364123D+01  0.974162D+01  0.815545D+01
      3   0.247416D+01  0.193952D+00 -0.165897D+02 -0.754529D+01 -0.266401D+01
      4   0.676748D+00 -0.162919D-01 -0.537903D+01 -0.978964D+01  0.674745D+00
      5  -0.485613D+00  0.469505D-02 -0.238331D+01 -0.114930D+01 -0.147257D+02
      6   0.887214D+01  0.855344D+00  0.210308D+01 -0.109543D+02 -0.343299D+01
               166           167           168           169           170 
      1  -0.195988D+01 -0.154961D+01 -0.299807D+00 -0.734475D+01  0.124234D+01
      2   0.142545D+02 -0.560426D+01  0.148755D+02  0.101660D+02  0.106036D+02
      3  -0.122947D+02  0.715387D+01 -0.145757D+02 -0.282121D+01 -0.118459D+02
      4  -0.169453D+02  0.224606D+02 -0.122237D+02  0.304016D+00 -0.702406D+01
      5  -0.351843D+01 -0.186969D+02 -0.133639D+02 -0.202055D+02 -0.105699D+02
      6  -0.151296D+02  0.164875D+02 -0.920674D+01 -0.456213D+01 -0.536696D+01
               171           172           173           174           175 
      1  -0.111350D+02 -0.297303D+01 -0.985853D+01 -0.231583D+02 -0.154539D+02
      2   0.841858D+01 -0.209521D+01  0.914568D+01  0.106136D+02  0.154765D+02
      3   0.271644D+01  0.506824D+01  0.712848D+00  0.125446D+02 -0.225613D-01
      4  -0.789523D+01 -0.888149D+01 -0.249125D+02 -0.626880D+01 -0.410525D+02
      5  -0.744495D+01 -0.253134D+02 -0.641632D+01 -0.878564D+01 -0.101327D+02
      6  -0.128902D+02  0.239236D+00  0.190329D+01 -0.477006D+00  0.318418D+01
               176           177           178           179           180 
      1  -0.243126D+02 -0.993226D+01 -0.301897D+02 -0.989890D+01 -0.751108D+01
      2   0.399697D+01  0.217281D+01  0.109830D+02  0.173449D+01  0.130237D+02
      3   0.203156D+02  0.775945D+01  0.192066D+02  0.816442D+01 -0.551257D+01
      4   0.340869D+02 -0.285470D+01 -0.100219D+02 -0.427884D+01 -0.184198D+02
      5  -0.123295D+01 -0.181396D+02 -0.150217D+02 -0.178590D+02  0.287460D+02
      6  -0.412577D+01 -0.757752D+00 -0.158108D+01  0.147229D+01  0.153770D+01
               181           182           183           184           185 
      1  -0.134975D+02 -0.233276D+01  0.110556D+02 -0.583934D+00 -0.328784D+01
      2   0.424116D+01 -0.355648D-01  0.148209D+01 -0.128992D+01  0.302894D+01
      3   0.925639D+01  0.236832D+01 -0.125377D+02  0.187386D+01  0.258900D+00
      4   0.769645D+01  0.119486D+01 -0.798433D+00  0.334847D+01 -0.122307D+01
      5  -0.122454D+02  0.287320D+00  0.230578D+01  0.128834D+00  0.381869D+00
      6  -0.166516D+01 -0.423247D+01  0.537386D+01 -0.134375D+01 -0.229673D+01
               186           187           188           189           190 
      1   0.171578D+01  0.673312D+01  0.155361D+01 -0.637878D+01  0.713281D+01
      2  -0.254842D+01  0.484245D+00 -0.126612D+01 -0.276033D+01 -0.116302D+02
      3   0.832646D+00 -0.721736D+01 -0.287495D+00  0.913911D+01  0.449740D+01
      4   0.802785D+00 -0.109679D+01 -0.302639D+00  0.247468D+01  0.405520D+01
      5   0.237264D+01  0.640406D+01  0.162863D+01 -0.286038D+01  0.185182D+02
      6   0.334539D+01  0.281793D+01  0.293155D+01 -0.150381D+01  0.327972D+01
               191           192           193           194           195 
      1   0.304522D+01  0.274367D+01  0.488614D+01 -0.394268D+00 -0.325197D+01
      2  -0.494886D+01 -0.120258D+02 -0.918684D+01 -0.265627D+01 -0.112546D+02
      3   0.190364D+01  0.928209D+01  0.430069D+01  0.305054D+01  0.145066D+02
      4   0.627533D+01  0.233165D+01  0.769866D+01  0.541853D+01  0.749477D+01
      5   0.531187D+01  0.206273D+02  0.129952D+02  0.103615D+02  0.174549D+02
      6   0.585618D+01  0.273506D+01  0.737411D+01  0.745205D+01  0.959984D+01
               196           197           198           199           200 
      1   0.270688D+01 -0.151395D+01 -0.641877D+01  0.399584D+01 -0.296653D+01
      2  -0.120565D+02 -0.613737D+01 -0.197345D+02 -0.171245D+00 -0.323276D+01
      3   0.934961D+01  0.765132D+01  0.261533D+02 -0.382460D+01  0.619928D+01
      4   0.260124D+01  0.555950D+01  0.561562D+01 -0.114563D+02  0.146331D+02
      5   0.197167D+02  0.796834D+01  0.269967D+02  0.813278D+01 -0.720294D+01
      6   0.383902D+01  0.775712D+01  0.756863D+01 -0.640793D+01  0.899630D+01
               201           202           203           204           205 
      1   0.188449D-01 -0.271714D+01 -0.108317D+02  0.683027D+01 -0.840175D+00
      2  -0.193915D+01 -0.515876D+01  0.228705D+02 -0.450993D+01 -0.156031D+01
      3   0.192031D+01  0.787590D+01 -0.120388D+02 -0.232034D+01  0.240049D+01
      4  -0.487369D+01  0.183805D+02 -0.312378D+02  0.109039D+02 -0.155076D+01
      5   0.872836D+01 -0.944017D+01  0.144778D+02 -0.933135D+01  0.585216D+01
      6  -0.422837D+01  0.115879D+02 -0.276982D+02  0.158519D+02 -0.303581D+01
               206           207           208           209           210 
      1   0.357652D+01 -0.209943D+01  0.458497D+01  0.336628D+01 -0.560247D+01
      2  -0.873684D+00  0.105871D+00 -0.475338D+01 -0.230083D+01  0.451598D+01
      3  -0.270284D+01  0.199356D+01  0.168406D+00 -0.106545D+01  0.108650D+01
      4   0.389421D+01 -0.430166D+01  0.330430D+01  0.387045D+01 -0.108028D+01
      5  -0.430197D+01  0.516671D+01 -0.678658D+01 -0.158070D+01  0.105948D+02
      6   0.950440D+01 -0.531423D+01 -0.815859D+00 -0.379379D+00  0.211916D+00
               211           212           213           214           215 
      1   0.738913D+01  0.210354D+01  0.645893D+00 -0.134368D+02  0.133893D+01
      2  -0.531163D+01 -0.120293D+01  0.284442D+01  0.120743D+02  0.218849D+01
      3  -0.207750D+01 -0.900608D+00 -0.349032D+01  0.136248D+01 -0.352742D+01
      4   0.797406D+01  0.246467D+01 -0.669775D+01 -0.171933D+01 -0.896150D+01
      5  -0.466915D+01 -0.646335D+01  0.125784D+02  0.227525D+02  0.951100D+01
      6  -0.168394D+01 -0.224346D+01  0.465559D+01  0.540496D+00  0.484183D+01
               216           217           218           219           220 
      1   0.125083D+01  0.209732D+02 -0.124122D+02  0.139868D+01 -0.255778D+02
      2  -0.181492D+02 -0.611860D+01  0.261736D+01 -0.489117D+00  0.426384D+01
      3   0.168984D+02 -0.148546D+02  0.979481D+01 -0.909558D+00  0.213139D+02
      4   0.973547D+01 -0.179484D+02  0.209393D+02  0.148579D+01  0.384994D+02
      5  -0.457498D+02 -0.293590D+00  0.235662D+01  0.485387D+01  0.592278D+01
      6  -0.173141D+01  0.178575D+01 -0.191345D+01 -0.883905D+00 -0.401861D+01
               221           222           223           224           225 
      1   0.126515D+02  0.223058D+01  0.534680D+01  0.605821D+00  0.285285D+01
      2   0.104224D+02 -0.164772D+01 -0.164497D+01 -0.787870D+00 -0.131154D+01
      3  -0.230739D+02 -0.582867D+00 -0.370183D+01  0.182048D+00 -0.154131D+01
      4  -0.522375D+02 -0.138905D+01  0.298825D+00  0.118848D+01 -0.433282D+01
      5  -0.259612D+01 -0.848377D+01  0.817451D+01 -0.477395D+01 -0.253929D+01
      6   0.637563D+01  0.564675D+01 -0.258316D+01  0.466605D+01  0.831586D-01
               226           227           228           229           230 
      1   0.542618D+02  0.147402D+02  0.153718D+02  0.308407D+02  0.141425D+02
      2  -0.263736D+02 -0.717631D+01 -0.753382D+01 -0.146711D+02 -0.337059D+01
      3  -0.278881D+02 -0.756384D+01 -0.783798D+01 -0.161696D+02 -0.107719D+02
      4   0.171617D+02  0.154935D+02  0.614737D+01  0.242247D+02  0.131099D+02
      5   0.159563D+02  0.558830D+01  0.133290D+02  0.874765D+01  0.660309D+01
      6   0.731464D+00 -0.173296D+00  0.211894D+00  0.649757D+00  0.173757D+01
               231           232           233           234 
      1   0.701250D+01  0.332888D+02  0.686500D+01  0.118269D+02
      2  -0.268454D+01 -0.167291D+02 -0.283359D+01 -0.888755D+01
      3  -0.432797D+01 -0.165598D+02 -0.403141D+01 -0.293935D+01
      4   0.766587D+01  0.103317D+02  0.106382D+02  0.860704D+01
      5   0.115837D+02  0.189971D+02  0.828682D+01  0.139187D+02
      6   0.212330D+01  0.155140D+01  0.161027D+01  0.155459D+01
 Leave Link  716 at Fri Jul 23 18:09:55 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.142588D+03 -0.524962D+01 -0.274018D+01
      2  -0.524962D+01  0.109719D+03  0.141617D+01
      3  -0.274018D+01  0.141617D+01  0.987388D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.446291D+01  0.507774D+00  0.174897D+01
      2   0.260727D+02 -0.570753D+01  0.823186D+01
      3  -0.194669D+02  0.101498D+02  0.826938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.400918D+02 -0.105176D+02  0.973039D+01
      2   0.574824D+01  0.967239D+01 -0.186287D+02
      3   0.343436D+02  0.845207D+00  0.889833D+01
      4  -0.333035D+02 -0.199178D+02 -0.891446D+01
      5   0.173386D+02 -0.114366D+02  0.298860D+02
      6   0.402807D+01 -0.279791D+01 -0.835531D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.225226D+02 -0.634762D+00 -0.149947D+01 -0.268688D+01 -0.175356D+01
      2  -0.634762D+00  0.481151D+00 -0.251577D+00 -0.175356D+01 -0.594187D+01
      3  -0.149947D+01 -0.251577D+00 -0.376031D+01  0.551343D+00 -0.137346D+01
                 6             7             8             9            10 
      1   0.551343D+00 -0.533302D+01 -0.201886D+01 -0.546454D+01 -0.272769D+01
      2  -0.137346D+01 -0.201886D+01  0.505282D+00  0.121337D+01  0.230420D+01
      3   0.734826D+00 -0.546454D+01  0.121337D+01  0.275828D+01 -0.278972D+00
                11            12            13            14            15 
      1   0.230420D+01 -0.278972D+00 -0.473129D+00 -0.195783D+01  0.742460D+00
      2  -0.108781D+01  0.285321D+01 -0.195783D+01  0.562904D+01  0.140868D+01
      3   0.285321D+01 -0.166456D+01  0.742460D+00  0.140868D+01  0.177149D+00
                16            17            18            19            20 
      1  -0.113250D+01  0.422816D+01 -0.115764D+01  0.264724D+02 -0.423012D+01
      2   0.422816D+01  0.215215D+01  0.323011D+00 -0.423012D+01  0.429254D+01
      3  -0.115764D+01  0.323011D+00  0.132601D+01 -0.228759D+01 -0.749534D-01
                21            22            23            24            25 
      1  -0.228759D+01 -0.637701D+01  0.464431D+01  0.812785D+00 -0.634320D+01
      2  -0.749534D-01  0.464431D+01  0.359117D+01  0.235536D+00 -0.561680D-01
      3   0.192641D+01  0.812785D+00  0.235536D+00 -0.229434D+01  0.429505D+01
                26            27            28            29            30 
      1  -0.561680D-01  0.429505D+01 -0.221740D+02  0.489318D+01  0.267948D+01
      2  -0.594704D+00 -0.313709D+01  0.489318D+01 -0.353209D+01 -0.842550D+00
      3  -0.313709D+01 -0.438852D+01  0.267948D+01 -0.842550D+00 -0.318145D+01
                31            32            33            34            35 
      1   0.986214D+01 -0.615509D+01 -0.668764D+00  0.675556D+01 -0.123359D+01
      2  -0.615509D+01  0.127560D+01  0.172887D+00 -0.123359D+01  0.848320D+00
      3  -0.668764D+00  0.172887D+00  0.190212D+01 -0.508793D+01  0.117089D+01
                36            37            38            39            40 
      1  -0.508793D+01  0.113252D+02 -0.296167D+01  0.836848D-01 -0.336113D+01
      2   0.117089D+01 -0.296167D+01 -0.175871D+00 -0.432800D+00  0.130255D+01
      3   0.238509D+01  0.836848D-01 -0.432800D+00  0.259559D+01 -0.460769D+00
                41            42            43            44            45 
      1   0.130255D+01 -0.460769D+00 -0.188761D+00 -0.212781D+00  0.613495D+01
      2   0.611309D+01  0.131725D+01 -0.212781D+00  0.161745D+01 -0.125704D+01
      3   0.131725D+01 -0.140378D+01  0.613495D+01 -0.125704D+01 -0.475732D+01
                46            47            48            49            50 
      1  -0.911695D+00 -0.325743D+01 -0.193747D+01 -0.491448D+01  0.455967D+01
      2  -0.325743D+01  0.192287D+01  0.116618D+00  0.455967D+01 -0.900409D+00
      3  -0.193747D+01  0.116618D+00  0.245935D+01 -0.282466D+00  0.633266D+00
                51            52            53            54            55 
      1  -0.282466D+00 -0.206664D+01 -0.777925D+00  0.440326D+01  0.210915D+01
      2   0.633266D+00 -0.777925D+00  0.228013D+01 -0.340892D+01  0.146535D+01
      3  -0.228987D+01  0.440326D+01 -0.340892D+01  0.190230D+01  0.113421D+01
                56            57            58            59            60 
      1   0.146535D+01  0.113421D+01  0.174777D+01 -0.786915D+00 -0.147617D+00
      2  -0.395643D+00  0.711972D-01 -0.786915D+00 -0.717451D+01 -0.780775D-01
      3   0.711972D-01 -0.958194D+00 -0.147617D+00 -0.780775D-01  0.125995D+01
                61            62            63            64            65 
      1   0.156362D+01  0.199688D+00 -0.103497D+01  0.131622D+02 -0.124091D+01
      2   0.199688D+00  0.529595D+00  0.511597D+00 -0.124091D+01  0.173284D+01
      3  -0.103497D+01  0.511597D+00 -0.492225D+01  0.434345D+01 -0.782751D+00
                66            67            68            69            70 
      1   0.434345D+01  0.227488D+01  0.557501D+01  0.588910D+00  0.119348D+02
      2  -0.782751D+00  0.557501D+01 -0.403348D+01  0.127523D+01 -0.211260D+00
      3   0.288655D+01  0.588910D+00  0.127523D+01  0.924985D+00  0.426926D+01
                71            72            73            74            75 
      1  -0.211260D+00  0.426926D+01  0.415063D+01 -0.102969D+01 -0.183759D+01
      2   0.173903D+00  0.886326D+00 -0.102969D+01  0.347305D+00  0.465524D+00
      3   0.886326D+00 -0.107665D+01 -0.183759D+01  0.465524D+00  0.228435D+01
                76            77            78            79            80 
      1  -0.282720D+01  0.273401D+00  0.234623D+00 -0.231488D+01  0.546576D+00
      2   0.273401D+00 -0.680200D+00 -0.138954D+01  0.546576D+00 -0.180040D+01
      3   0.234623D+00 -0.138954D+01 -0.205859D+01  0.292435D+01 -0.252613D+01
                81            82            83            84            85 
      1   0.292435D+01  0.279947D+01  0.142150D+01 -0.120133D+01  0.115364D+01
      2  -0.252613D+01  0.142150D+01  0.170936D+01 -0.143882D+01  0.138866D+01
      3  -0.802232D+01 -0.120133D+01 -0.143882D+01  0.169695D+01 -0.127388D+01
                86            87            88            89            90 
      1   0.138866D+01 -0.127388D+01 -0.187139D+01 -0.173414D+01  0.147675D+01
      2   0.410968D+01 -0.225240D+01 -0.173414D+01 -0.262185D+01  0.207766D+01
      3  -0.225240D+01  0.198465D+01  0.147675D+01  0.207766D+01 -0.282400D+01
                91            92            93            94            95 
      1   0.187029D+00 -0.143816D+01 -0.637288D+00 -0.174076D+01 -0.120804D+01
      2  -0.143816D+01 -0.103157D+01  0.134570D+00 -0.120804D+01 -0.100463D+02
      3  -0.637288D+00  0.134570D+00  0.193925D+00 -0.178789D-01 -0.168629D+01
                96            97            98            99           100 
      1  -0.178789D-01 -0.206667D+01  0.301772D+00 -0.645232D+00 -0.553933D+00
      2  -0.168629D+01  0.301772D+00 -0.711313D+00 -0.467942D+00 -0.671025D+00
      3  -0.115860D+01 -0.645232D+00 -0.467942D+00 -0.820414D-02 -0.351235D+00
               101           102           103           104           105 
      1  -0.671025D+00 -0.351235D+00 -0.266708D+01 -0.311619D+01 -0.816918D-01
      2  -0.399244D+00 -0.453275D-01 -0.311619D+01 -0.816326D+01 -0.474602D+00
      3  -0.453275D-01 -0.204354D+00 -0.816918D-01 -0.474602D+00 -0.107441D+01
               106           107           108           109           110 
      1  -0.842254D+00 -0.398130D+00 -0.754800D+00 -0.108982D+02  0.133251D+01
      2  -0.398130D+00 -0.103224D+01 -0.865429D+00  0.133251D+01 -0.110454D+01
      3  -0.754800D+00 -0.865429D+00 -0.304401D-01 -0.208297D+01  0.578152D+00
               111           112           113           114           115 
      1  -0.208297D+01  0.485694D+01 -0.150739D+01  0.600593D+00 -0.502376D+01
      2   0.578152D+00 -0.150739D+01  0.769284D+00 -0.846081D+00  0.560311D+00
      3  -0.174512D+01  0.600593D+00 -0.846081D+00  0.967167D+00 -0.304480D+01
               116           117           118           119           120 
      1   0.560311D+00 -0.304480D+01 -0.453287D+01  0.203618D+00  0.193324D+01
      2  -0.116767D+01  0.720784D+00  0.203618D+00 -0.181812D+00  0.559481D-01
      3   0.720784D+00 -0.129982D+01  0.193324D+01  0.559481D-01 -0.185275D+01
               121           122           123           124           125 
      1   0.220792D+01 -0.789612D+00 -0.595018D+00  0.569950D+01  0.558293D+00
      2  -0.789612D+00 -0.158870D+00  0.838694D+00  0.558293D+00  0.110701D+01
      3  -0.595018D+00  0.838694D+00  0.924394D+00 -0.490233D+01  0.325337D+00
               126           127           128           129           130 
      1  -0.490233D+01 -0.528537D+01  0.250253D+01  0.246654D+01  0.231833D+01
      2   0.325337D+00  0.250253D+01 -0.228782D+01 -0.101942D+01 -0.205573D+01
      3   0.717342D+01  0.246654D+01 -0.101942D+01 -0.177064D+01 -0.844728D+00
               131           132           133           134           135 
      1  -0.205573D+01 -0.844728D+00  0.390206D+01 -0.139228D+01 -0.282719D+01
      2   0.190324D+01  0.114737D+01 -0.139228D+01  0.173215D+01  0.205391D+01
      3   0.114737D+01  0.122206D+01 -0.282719D+01  0.205391D+01  0.253454D+01
               136           137           138           139           140 
      1  -0.218982D+01  0.199992D+01 -0.107697D+01  0.196249D+01 -0.211263D+01
      2   0.199992D+01 -0.162398D+01  0.649710D+00 -0.211263D+01  0.354805D+01
      3  -0.107697D+01  0.649710D+00 -0.118481D+01  0.976028D+00 -0.201804D+01
               141           142           143           144           145 
      1   0.976028D+00 -0.268224D+01  0.212057D+01 -0.295165D+01  0.126423D+00
      2  -0.201804D+01  0.212057D+01 -0.430072D+01  0.303865D+01 -0.291247D+00
      3   0.179307D+01 -0.295165D+01  0.303865D+01 -0.454304D+01  0.707534D+00
               146           147           148           149           150 
      1  -0.291247D+00  0.707534D+00 -0.878116D+00  0.619648D+00 -0.290487D+00
      2   0.360259D+00 -0.297590D-01  0.619648D+00  0.110967D+00  0.100391D+01
      3  -0.297590D-01  0.595608D+00 -0.290487D+00  0.100391D+01 -0.690718D+00
               151           152           153           154           155 
      1   0.157646D+01 -0.390912D+00  0.676825D+00  0.272865D+00  0.116139D+01
      2  -0.390912D+00  0.154786D+01  0.980364D+00  0.116139D+01  0.647582D+00
      3   0.676825D+00  0.980364D+00  0.691551D+01 -0.128978D+00  0.763890D-01
               156           157           158           159           160 
      1  -0.128978D+00  0.117341D+01  0.367882D+00  0.573311D-01 -0.508628D+00
      2   0.763890D-01  0.367882D+00  0.118409D+02  0.493632D+00  0.592354D-01
      3   0.192937D+00  0.573311D-01  0.493632D+00  0.868771D+00  0.139715D+00
               161           162           163           164           165 
      1   0.592354D-01  0.139715D+00  0.401033D+01  0.280044D+00 -0.303986D+01
      2  -0.938375D+00  0.108702D+01  0.280044D+00 -0.314028D+01 -0.492143D+00
      3   0.108702D+01  0.321233D+00 -0.303986D+01 -0.492143D+00 -0.179921D+01
               166           167           168           169           170 
      1  -0.986833D-01 -0.450911D+01 -0.836217D+00 -0.413498D+01 -0.643833D+00
      2  -0.450911D+01  0.531366D+01 -0.307654D+01 -0.643833D+00 -0.171173D+01
      3  -0.836217D+00 -0.307654D+01 -0.300128D+01 -0.256249D+01 -0.251187D+01
               171           172           173           174           175 
      1  -0.256249D+01 -0.238703D+01 -0.722096D+00 -0.337047D+01 -0.153524D+01
      2  -0.251187D+01 -0.722096D+00 -0.343185D+01 -0.891625D+00 -0.562890D+01
      3  -0.163021D+00 -0.337047D+01 -0.891625D+00 -0.118324D+01 -0.130239D+01
               176           177           178           179           180 
      1  -0.562890D+01 -0.130239D+01 -0.403911D+01 -0.130661D+01 -0.229608D+01
      2   0.489835D+01 -0.230869D+00 -0.130661D+01 -0.587960D+00 -0.281399D+01
      3  -0.230869D+00 -0.283162D+01 -0.229608D+01 -0.281399D+01  0.467929D+01
               181           182           183           184           185 
      1  -0.564129D+01 -0.293319D+00  0.122161D+01 -0.286684D+00 -0.297382D+00
      2  -0.293319D+00 -0.844825D+00  0.663421D+00 -0.297382D+00 -0.507957D+00
      3   0.122161D+01  0.663421D+00 -0.247654D+01  0.354037D+00  0.550816D+00
               186           187           188           189           190 
      1   0.354037D+00  0.129008D+01  0.291624D+00 -0.109030D+01  0.269451D+01
      2   0.550816D+00  0.291624D+00  0.526750D+00  0.640024D-01  0.748649D+00
      3   0.150913D+00 -0.109030D+01  0.640024D-01  0.145408D+01  0.262214D+01
               191           192           193           194           195 
      1   0.748649D+00  0.262214D+01  0.204739D+01  0.158600D+01  0.180710D+01
      2   0.127454D+01  0.595436D+00  0.158600D+01  0.132230D+01  0.182794D+01
      3   0.595436D+00  0.299163D+01  0.180710D+01  0.182794D+01  0.362920D+01
               196           197           198           199           200 
      1   0.208692D+01  0.782203D+00  0.280709D+01  0.163064D+01 -0.180600D+01
      2   0.782203D+00  0.133274D+01  0.156518D+01 -0.180600D+01  0.233840D+01
      3   0.280709D+01  0.156518D+01  0.531428D+01  0.121353D+01 -0.770058D+00
               201           202           203           204           205 
      1   0.121353D+01 -0.242930D+01  0.318289D+01 -0.105734D+01  0.456902D+00
      2  -0.770058D+00  0.318289D+01 -0.759519D+01  0.282915D+01 -0.265297D+00
      3   0.130674D+01 -0.105734D+01  0.282915D+01 -0.208425D+01  0.848436D+00
               206           207           208           209           210 
      1  -0.265297D+00  0.848436D+00  0.471322D+00  0.485445D+00 -0.878873D+00
      2   0.960672D+00 -0.970097D+00  0.485445D+00  0.409290D+00 -0.645271D-01
      3  -0.970097D+00  0.885189D+00 -0.878873D+00 -0.645271D-01  0.864697D+00
               211           212           213           214           215 
      1   0.121433D+01  0.987378D+00 -0.527669D+00 -0.274953D+01 -0.231501D+00
      2   0.987378D+00  0.383284D+00 -0.104081D+01 -0.231501D+00 -0.127404D+01
      3  -0.527669D+00 -0.104081D+01  0.189470D+01  0.266076D+01  0.146842D+01
               216           217           218           219           220 
      1   0.266076D+01  0.323804D+01 -0.208409D+01  0.187638D+00 -0.508439D+01
      2   0.146842D+01 -0.208409D+01  0.212879D+01  0.149251D+00  0.462326D+01
      3  -0.693791D+01  0.187638D+00  0.149251D+00  0.380980D+00  0.558264D+00
               221           222           223           224           225 
      1   0.462326D+01  0.558264D+00  0.905358D+00  0.583553D-01  0.957759D+00
      2  -0.710573D+01 -0.199422D+00  0.583553D-01  0.146435D+00 -0.624596D+00
      3  -0.199422D+00 -0.103843D+01  0.957759D+00 -0.624596D+00 -0.332340D+00
               226           227           228           229           230 
      1   0.717431D+01  0.186217D+01  0.201600D+01  0.454084D+01  0.276771D+01
      2   0.186217D+01  0.159242D+01  0.726882D+00  0.276771D+01  0.149917D+01
      3   0.201600D+01  0.726882D+00  0.140545D+01  0.110344D+01  0.931774D+00
               231           232           233           234 
      1   0.110344D+01  0.512628D+01  0.116650D+01  0.222576D+01
      2   0.931774D+00  0.116650D+01  0.128055D+01  0.109658D+01
      3   0.149192D+01  0.222576D+01  0.109658D+01  0.165662D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.245096D+01 -0.773410D+00 -0.209370D+01 -0.110431D+01  0.697320D+01
      2  -0.308168D+02  0.529733D+00 -0.320228D+01 -0.293845D+01 -0.418537D+01
      3   0.302583D+02 -0.510724D+01  0.145258D+01  0.179323D+02  0.888131D+01
                 6             7             8             9            10 
      1   0.299296D+00  0.812880D+00  0.425038D+01  0.227275D+01  0.136546D+01
      2   0.236543D-02 -0.208009D+02 -0.164294D+01 -0.543461D+01 -0.338109D+01
      3   0.299308D+01  0.107153D+02 -0.121175D+01  0.597032D+01 -0.674075D+01
                11            12            13            14            15 
      1  -0.287264D+01 -0.592901D+00 -0.651156D+00 -0.771369D+01 -0.424326D+01
      2   0.604664D+01  0.111568D+01 -0.700443D+00  0.169328D+01  0.143104D+01
      3  -0.293179D+01 -0.576724D+01  0.103664D+02 -0.135865D+02  0.173450D+00
                16            17            18            19            20 
      1  -0.162900D+01  0.324088D+01 -0.227446D+01  0.584833D+00  0.124121D-01
      2  -0.457492D+01  0.648903D+01  0.177047D+01  0.256193D+02 -0.299327D+01
      3  -0.123998D+02  0.320666D+00 -0.309483D+01 -0.469284D+02  0.121577D+02
                21            22            23            24            25 
      1   0.412966D+01  0.228074D+01 -0.385610D+01 -0.299431D+01  0.903155D+01
      2  -0.362018D+01 -0.764694D+01  0.463723D+01  0.227234D+01 -0.249439D+02
      3   0.287251D+01  0.238366D+02 -0.743269D+01 -0.351330D+01  0.116207D+02
                26            27            28            29            30 
      1   0.797103D+00 -0.343588D+01  0.471109D+00  0.826092D+00 -0.301757D+01
      2   0.342304D+01  0.864462D+01 -0.249552D+02  0.358539D+01  0.701399D+01
      3  -0.371837D+01 -0.106281D+02  0.419173D+02 -0.169568D+02 -0.574291D+01
                31            32            33            34            35 
      1   0.193058D+01  0.418932D+00  0.142880D+01 -0.743673D+01  0.102224D+02
      2   0.113543D+02 -0.363504D+01 -0.323569D+01  0.357511D+01 -0.286588D+01
      3  -0.176939D+02  0.823728D+01 -0.100708D+01 -0.143686D+02  0.169748D+01
                36            37            38            39            40 
      1   0.377235D+01 -0.501722D+00  0.158564D+00  0.119963D+01  0.815671D+00
      2  -0.620554D+01 -0.238207D+01  0.229217D+01 -0.818397D+01  0.338176D+01
      3   0.851075D+01 -0.224823D+02  0.102856D+01 -0.145479D+01  0.127583D+02
                41            42            43            44            45 
      1   0.296933D+01 -0.277374D+01  0.587745D+01  0.607474D+00 -0.492417D+01
      2  -0.536654D+01  0.531411D+01 -0.316829D+02  0.525910D+01  0.197612D+02
      3   0.218362D+02  0.541000D+01 -0.293256D+01  0.676824D+01 -0.110341D+02
                46            47            48            49            50 
      1   0.325058D+01  0.199803D+00 -0.431067D+01  0.168422D+01 -0.185053D+01
      2   0.629378D+01 -0.177952D+01 -0.386826D+01 -0.156698D+01 -0.194146D+00
      3  -0.941961D+01 -0.570879D+01 -0.469786D+01  0.946280D+01 -0.443382D+01
                51            52            53            54            55 
      1   0.211522D+01 -0.111586D+02  0.114834D+02 -0.198669D+01 -0.191885D+01
      2   0.454614D+01 -0.139535D+02  0.753595D+01 -0.229572D+01 -0.289571D+01
      3   0.254345D+01 -0.668080D+01  0.773118D+01 -0.272169D+01  0.909852D+01
                56            57            58            59            60 
      1  -0.840211D+00  0.238703D+01  0.301904D+00 -0.675479D+01 -0.497038D+01
      2  -0.451002D+00  0.161980D+01 -0.240129D+01  0.118538D+01 -0.678533D+00
      3   0.533246D+01  0.436790D+01  0.113308D+02 -0.493822D+01  0.455539D+00
                61            62            63            64            65 
      1   0.290970D+01  0.265253D+01  0.118679D+02 -0.284006D+00  0.239013D+01
      2  -0.185643D+01 -0.118664D+01  0.275645D+01  0.264631D+02 -0.240566D+01
      3   0.433787D+01 -0.104961D+00 -0.112641D+01 -0.718922D+01 -0.950318D+01
                66            67            68            69            70 
      1   0.182416D+01 -0.459549D+01  0.245915D+01 -0.434522D+01 -0.188604D+01
      2   0.116685D+02  0.612334D+01  0.386694D+01  0.332469D+01  0.885920D+01
      3   0.517999D-01 -0.135844D+02  0.795543D+01 -0.274067D+01 -0.944267D+01
                71            72            73            74            75 
      1   0.491797D+01 -0.282161D+00 -0.145902D+01 -0.461735D+00  0.127637D+01
      2   0.395541D+01 -0.476231D+00  0.498258D+01 -0.988684D+00  0.727026D+00
      3  -0.138950D+01 -0.551374D+01 -0.409347D+01 -0.910886D+00  0.107220D+01
                76            77            78            79            80 
      1   0.284722D+00  0.115328D+00 -0.546146D+00  0.195445D+01  0.338962D+01
      2  -0.392540D+01 -0.735814D+00 -0.131478D+01 -0.315946D+01 -0.945372D+00
      3   0.690949D+01 -0.456718D+00  0.375961D+00  0.150928D+01  0.172269D+01
                81            82            83            84            85 
      1  -0.238350D+01  0.516606D+00  0.720554D-02 -0.170269D+01  0.447649D+00
      2  -0.234096D+01  0.206370D+01 -0.794927D+00  0.208665D+01 -0.315634D+00
      3  -0.876349D+00  0.143468D+01 -0.174429D+01  0.415847D-01  0.351070D+01
                86            87            88            89            90 
      1  -0.119548D+01 -0.273103D+01 -0.907608D+00  0.635883D+00  0.279286D+01
      2  -0.110242D+01  0.123024D+01 -0.194996D+01  0.130297D+00 -0.216353D+01
      3  -0.382672D+01  0.114011D+01 -0.522070D+00  0.195526D+01  0.367930D-03
                91            92            93            94            95 
      1  -0.782313D+00  0.122212D+01 -0.413885D+00  0.102750D+01  0.598080D+01
      2   0.414251D+00 -0.133650D+01 -0.201269D+00 -0.174200D+01 -0.557300D+00
      3  -0.480145D+00 -0.587740D-01  0.100273D+01  0.454604D+01 -0.719807D+01
                96            97            98            99           100 
      1  -0.415543D+01 -0.380939D+01  0.100672D+01  0.978263D+00 -0.674439D+00
      2   0.150280D+01 -0.223735D+01 -0.369933D-01 -0.861395D+00  0.127393D+01
      3  -0.976143D+00  0.564165D+01 -0.906751D+00  0.595185D+00 -0.270879D+01
               101           102           103           104           105 
      1  -0.438110D+00 -0.137733D+00 -0.539726D+00 -0.209988D+01 -0.399242D+01
      2   0.343406D+00  0.142883D+01  0.202533D+00  0.164829D+01  0.424519D+01
      3  -0.222654D+01  0.357006D+00 -0.443711D+01 -0.263875D+02 -0.188558D+01
               106           107           108           109           110 
      1  -0.131628D+00 -0.154576D+00 -0.498154D+00 -0.348996D+00  0.857380D+00
      2   0.132808D+01  0.236212D+01  0.373664D-01  0.789575D+01 -0.204750D+01
      3  -0.176348D+00 -0.332110D+01 -0.183079D+01  0.148287D+02 -0.776588D+01
               111           112           113           114           115 
      1  -0.109058D+01  0.274067D+00 -0.902927D+00 -0.152671D+00 -0.136810D+01
      2   0.887994D+01 -0.311173D+01  0.305738D+01 -0.409457D+01  0.107799D+02
      3   0.408641D+01 -0.822190D+01  0.441498D+01 -0.362586D+01  0.630889D+01
               116           117           118           119           120 
      1   0.156197D+01 -0.801488D+00  0.206387D+01 -0.645018D+00 -0.171807D+01
      2  -0.284170D+01  0.505483D+01 -0.650210D+01 -0.564149D+00  0.769188D+01
      3  -0.591703D+01  0.531301D+01  0.613644D+01 -0.213240D+01 -0.205140D+01
               121           122           123           124           125 
      1  -0.891198D+00  0.100239D+01  0.470676D+00 -0.328860D+01  0.318255D+01
      2   0.181704D+01 -0.273279D+01 -0.362596D+01  0.163552D+02 -0.130487D+01
      3  -0.267891D+01  0.259535D+00  0.299500D+01 -0.400025D+01  0.475375D+01
               126           127           128           129           130 
      1   0.680644D+01 -0.438840D+01  0.100331D+01  0.377251D+01  0.982390D+00
      2  -0.270305D+02 -0.484666D+01  0.289273D+01  0.560786D+01  0.183232D+01
      3   0.615192D+01 -0.362143D+01 -0.439512D+01  0.151217D+01  0.680180D+00
               131           132           133           134           135 
      1  -0.139405D+01 -0.287483D+01  0.480930D+01 -0.142831D+01 -0.442069D+01
      2  -0.262245D+01 -0.331113D+01  0.394627D+01 -0.463188D+01 -0.636590D+01
      3   0.924889D+00  0.891589D+00  0.490060D+01  0.236758D+01  0.152320D+00
               136           137           138           139           140 
      1   0.168171D+01 -0.962978D+00  0.218820D+01 -0.106762D+01  0.204354D+01
      2   0.132603D+01 -0.613111D+00  0.352447D+01 -0.300236D+00  0.303192D+01
      3   0.122916D+01 -0.159087D+01  0.163825D+00 -0.541623D+00  0.664031D+01
               141           142           143           144           145 
      1  -0.444956D+01  0.573913D+01 -0.395500D+01  0.774306D+01 -0.267257D+01
      2  -0.387790D+01  0.384980D+01 -0.558613D+01  0.871126D+01 -0.833076D+00
      3  -0.287560D+01  0.422323D+00 -0.908328D+01  0.295560D+01 -0.904625D-01
               146           147           148           149           150 
      1   0.123908D+01 -0.196479D+01  0.174978D+01 -0.270146D+01  0.219130D+01
      2   0.667434D+00 -0.305949D+00  0.215038D+01 -0.202495D+01  0.110090D+01
      3  -0.268084D+01  0.168931D+01 -0.189940D+01  0.973159D+00  0.560041D-01
               151           152           153           154           155 
      1  -0.218843D+01  0.226131D+01 -0.152893D+02  0.937374D+00  0.373296D+00
      2  -0.420342D+01  0.195666D+00 -0.354150D+01  0.595015D+00 -0.542939D+00
      3   0.437323D+01 -0.583610D+00  0.125601D+01  0.801649D+00  0.138672D+01
               156           157           158           159           160 
      1  -0.557422D+00 -0.879058D-01  0.445693D+01 -0.457587D+01 -0.648115D+00
      2   0.910164D+00 -0.122094D+01 -0.790784D+00 -0.274970D+00 -0.599425D+00
      3  -0.825625D+00  0.704152D+01  0.510018D+01  0.224146D+00 -0.140987D+01
               161           162           163           164           165 
      1  -0.152311D+01 -0.263642D+00 -0.134725D+01 -0.669588D+01 -0.239928D+01
      2  -0.371932D+00 -0.536352D+00 -0.161663D+02 -0.239778D+01  0.677367D+01
      3  -0.646902D+00  0.110730D+01 -0.382280D+01  0.314883D+01  0.379394D+01
               166           167           168           169           170 
      1  -0.101997D+02  0.819676D+01 -0.115699D+02 -0.342658D+01 -0.471743D+01
      2  -0.382637D+01  0.165987D+01 -0.360774D+01 -0.147733D+00 -0.319625D+01
      3   0.101734D+02 -0.652548D+01  0.584214D+01  0.489319D+01  0.420022D+01
               171           172           173           174           175 
      1  -0.605372D+01 -0.105111D+01  0.102440D+01 -0.400665D+00  0.250235D+01
      2   0.157621D+01 -0.136723D+02 -0.344709D+01 -0.576371D+01 -0.490584D+01
      3   0.641598D+01  0.448978D+01  0.126818D+02  0.444084D+01  0.265861D+02
               176           177           178           179           180 
      1  -0.258714D+01 -0.247880D+01 -0.383128D+00  0.111102D+01  0.312495D+01
      2  -0.437830D+01 -0.110395D+02 -0.155501D+02 -0.104890D+02  0.162996D+02
      3  -0.160491D+02  0.129600D+01  0.666866D+01  0.195534D+01  0.111561D+02
               181           182           183           184           185 
      1   0.264311D+00 -0.261674D+01 -0.116388D+01 -0.161872D+01  0.585633D+00
      2   0.190074D+02  0.956448D+00 -0.413050D+01  0.820754D+00  0.203886D+01
      3   0.629292D+01 -0.275576D+00 -0.151428D+01  0.228147D+01  0.753292D+00
               186           187           188           189           190 
      1  -0.190377D+00 -0.818317D+00  0.183301D+01  0.979840D+00  0.367411D+01
      2  -0.386369D+00 -0.609960D+01 -0.455903D+00  0.364223D+01  0.572470D+00
      3  -0.717053D+00 -0.141598D+01 -0.160713D-01  0.797228D+00 -0.277641D+01
               191           192           193           194           195 
      1   0.408656D+01  0.333429D+01  0.436607D+01  0.531666D+01  0.493930D+01
      2  -0.435826D+00  0.297967D+01 -0.119575D+01  0.127434D+01  0.463499D+01
      3  -0.385586D+01 -0.295264D+01 -0.285934D+01 -0.405151D+01 -0.437463D+01
               196           197           198           199           200 
      1   0.411131D+01  0.595208D+01  0.703554D+01 -0.224262D+01  0.419873D+01
      2  -0.196980D+01  0.135189D+01  0.586842D+01 -0.392736D+00  0.120257D+01
      3  -0.204552D+01 -0.381066D+01 -0.467719D+01  0.148626D+01 -0.389892D+01
               201           202           203           204           205 
      1   0.906062D+00  0.533554D+01 -0.124387D+02  0.520254D+00 -0.141654D-01
      2   0.187919D+01  0.319759D+01  0.563740D+00 -0.326744D+01 -0.584377D+00
      3   0.742378D+00 -0.709923D+00  0.111718D+02 -0.411829D+01 -0.268518D+00
               206           207           208           209           210 
      1   0.233249D+01 -0.925624D+00 -0.599177D+00 -0.394006D+00  0.369443D+00
      2  -0.715173D+00  0.439061D+00 -0.318505D+01 -0.213105D-01  0.352272D+01
      3  -0.135458D+01  0.842040D+00 -0.171211D+01 -0.199118D+01  0.774114D+00
               211           212           213           214           215 
      1  -0.422046D+00 -0.106644D+01  0.216894D+00  0.757335D+00  0.383224D+01
      2  -0.300687D+00 -0.264774D+01  0.656245D+01  0.379868D+01  0.524892D+01
      3  -0.225703D+01 -0.191441D+01  0.367478D+01  0.112991D+01  0.530233D+01
               216           217           218           219           220 
      1  -0.259297D+01  0.945084D+00 -0.950033D+00  0.765681D+00 -0.115665D+01
      2  -0.228129D+02  0.206503D+01 -0.490421D+00  0.289446D+01 -0.384383D+00
      3  -0.624683D+01  0.587218D+01 -0.833801D+01 -0.707511D+00 -0.112788D+02
               221           222           223           224           225 
      1   0.323296D+01 -0.313227D+01  0.315925D+00  0.409217D+00  0.108575D+00
      2   0.171838D+01 -0.453758D+01  0.231904D+01 -0.162076D+01 -0.768680D+00
      3   0.242077D+02  0.204335D+00 -0.126990D+01 -0.515646D+00  0.145052D+01
               226           227           228           229           230 
      1   0.644615D-01  0.516807D-01 -0.589198D+00 -0.276780D+00  0.102129D+00
      2   0.100848D+02  0.350055D+01  0.832434D+01  0.560310D+01  0.459805D+01
      3  -0.915219D+01 -0.853102D+01 -0.341480D+01 -0.994786D+01 -0.718296D+01
               231           232           233           234 
      1  -0.137827D+01  0.147610D+00  0.966016D+00 -0.642363D+00
      2   0.708494D+01  0.819668D+01  0.456759D+01  0.764400D+01
      3  -0.381320D+01 -0.558873D+01 -0.619453D+01 -0.492462D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.313432D+01  0.694264D+00 -0.709355D+01  0.460216D+01 -0.396704D+01
      2   0.877159D+01 -0.219334D+01 -0.158953D+01 -0.244789D+01  0.595423D+01
      3  -0.119059D+02  0.149907D+01  0.868309D+01 -0.215427D+01 -0.198719D+01
      4   0.144767D+02  0.246775D+01 -0.159246D+01 -0.178460D+01 -0.102803D+01
      5   0.171029D+01 -0.297792D+01 -0.913843D+01  0.244327D+01 -0.171047D+01
      6  -0.187767D-01 -0.998286D+00  0.198450D+01  0.309744D+00  0.788911D+01
                 6             7             8             9            10 
      1   0.518680D+01 -0.215215D+02  0.824861D+00  0.914810D+01 -0.774853D+01
      2   0.288203D+00  0.311474D+00  0.370294D+01  0.680886D+01  0.548614D+01
      3  -0.547501D+01  0.212100D+02 -0.452780D+01 -0.159570D+02  0.226239D+01
      4  -0.151105D+01 -0.465646D+01  0.381021D+01  0.724178D+01  0.435781D+01
      5   0.240963D+01 -0.134651D+02  0.488172D+01  0.116374D+02  0.161298D+00
      6  -0.105618D+01  0.825051D+01 -0.195528D+01 -0.909059D+01  0.364468D+01
                11            12            13            14            15 
      1   0.809342D+01 -0.529323D+01  0.682900D+01 -0.107251D+02 -0.127938D+01
      2  -0.542425D+00  0.515768D+01 -0.246466D+01  0.127850D+02  0.341134D+01
      3  -0.755099D+01  0.135556D+00 -0.436434D+01 -0.205990D+01 -0.213196D+01
      4  -0.457107D+01  0.751747D+01 -0.667330D+01  0.196364D+01  0.680724D+01
      5   0.727675D+01 -0.453350D+01  0.185679D+01  0.442897D+01 -0.338859D+01
      6   0.457091D+01 -0.550350D+01  0.655250D+01  0.386977D+01 -0.363132D+01
                16            17            18            19            20 
      1  -0.770131D+01  0.675212D+01 -0.275157D+01 -0.509557D+02  0.133070D+02
      2   0.642988D+01 -0.172973D+01  0.145837D+01  0.194616D+02 -0.104123D+02
      3   0.127143D+01 -0.502239D+01  0.129320D+01  0.314941D+02 -0.289471D+01
      4   0.114165D+02  0.620189D+01 -0.362959D+01 -0.138410D+02 -0.694228D+01
      5  -0.551340D+01 -0.264976D+01  0.430086D+01 -0.146159D+01  0.145496D+01
      6  -0.533925D+01 -0.567478D+01  0.689139D+01  0.514741D+01 -0.151604D+01
                21            22            23            24            25 
      1   0.420396D+01  0.283657D+02  0.387811D+01 -0.286144D+01  0.177487D+02
      2  -0.546493D+00 -0.223605D+02 -0.185795D+02 -0.271766D+01 -0.334525D+00
      3  -0.365747D+01 -0.600527D+01  0.147014D+02  0.557910D+01 -0.174142D+02
      4   0.182366D+01 -0.175470D+01 -0.109276D+02 -0.130155D+01  0.320496D+01
      5  -0.169032D+01 -0.481668D+01 -0.267237D+01  0.227725D+01  0.111374D+01
      6  -0.488047D+01 -0.565495D+01 -0.731144D+01  0.549330D+01 -0.120761D+02
                26            27            28            29            30 
      1  -0.392877D+01 -0.248925D+02  0.671301D+02 -0.230141D+02 -0.139206D+02
      2  -0.496370D+01  0.133224D+01 -0.350605D+02  0.113958D+02  0.350113D+01
      3   0.889247D+01  0.235603D+02 -0.320697D+02  0.116183D+02  0.104194D+02
      4   0.419471D+01  0.218990D+01  0.260588D+01  0.505745D+01  0.149159D+01
      5   0.387484D+01  0.984530D+01 -0.160895D+01  0.340127D+01  0.101440D+02
      6   0.130481D+02  0.124717D+02 -0.479959D+01  0.664771D+01  0.508545D+01
                31            32            33            34            35 
      1  -0.237804D+02  0.916303D+01  0.248832D+01 -0.144249D+02  0.512126D+01
      2   0.923252D+01  0.396349D+01  0.113970D+01  0.402532D+01 -0.170132D+01
      3   0.145479D+02 -0.131265D+02 -0.362803D+01  0.103996D+02 -0.341994D+01
      4   0.131134D+02  0.217487D+01 -0.391777D+00  0.631466D+00  0.998391D+00
      5  -0.141765D+01  0.308967D+01 -0.432519D+01  0.245872D+02 -0.485120D+01
      6   0.636668D+01 -0.542234D+01 -0.311213D+01  0.610977D+01  0.199200D+01
                36            37            38            39            40 
      1   0.117101D+02 -0.584110D+02  0.225116D+02 -0.957619D+01  0.321410D+02
      2  -0.122447D+02  0.363679D+02 -0.126247D+02  0.278068D+01 -0.234222D+02
      3   0.534602D+00  0.220431D+02 -0.988683D+01  0.679551D+01 -0.871880D+01
      4  -0.442591D+00  0.108718D+02  0.279621D+01  0.354965D+01 -0.505378D+01
      5  -0.406637D+01 -0.130951D+02  0.363588D+01 -0.197270D+02  0.498162D+01
      6  -0.656366D+01  0.644639D+00 -0.274344D+00 -0.257195D+01 -0.897138D+00
                41            42            43            44            45 
      1   0.700563D+01  0.728038D+01 -0.164963D+02  0.719217D+01 -0.277755D+02
      2  -0.200418D+02 -0.487663D+01  0.109919D+01 -0.608565D+01  0.256268D+02
      3   0.130362D+02 -0.240375D+01  0.153971D+02 -0.110651D+01  0.214874D+01
      4  -0.371919D+02 -0.800335D+01  0.303628D+01 -0.909252D+01  0.324248D+01
      5  -0.100544D+02  0.104619D+02 -0.479508D+02  0.997805D+01  0.335915D+02
      6  -0.259051D+01  0.242720D+01 -0.743965D+01  0.192149D+01  0.713078D+01
                46            47            48            49            50 
      1   0.761408D+01  0.662008D+01  0.788825D+01  0.686815D+01 -0.120829D+02
      2  -0.535899D+01 -0.257067D+01 -0.361091D+01 -0.778025D+00  0.912618D+01
      3  -0.225508D+01 -0.404941D+01 -0.427734D+01 -0.609013D+01  0.295669D+01
      4   0.142145D+02 -0.147512D+02 -0.675524D+01 -0.231751D+02  0.663573D+01
      5   0.105487D+02 -0.474274D+01 -0.126127D+02  0.900434D+00 -0.346287D+01
      6  -0.864533D+01 -0.238584D+01  0.102387D+02 -0.524951D+01  0.874335D+01
                51            52            53            54            55 
      1  -0.110001D+01  0.806995D+01 -0.457142D+01 -0.604113D+01 -0.102896D+02
      2   0.191546D+01 -0.412512D+01  0.401565D+01  0.818198D+00  0.828265D+01
      3  -0.815451D+00 -0.394483D+01  0.555773D+00  0.522293D+01  0.200691D+01
      4  -0.142652D+01 -0.111126D+01 -0.870679D+01  0.213962D+02  0.753403D+00
      5   0.105977D+02 -0.236108D+02  0.186637D+02 -0.520538D+01 -0.102762D+01
      6  -0.102593D+02  0.190532D+02 -0.204539D+02  0.919044D+01  0.700760D+01
                56            57            58            59            60 
      1   0.181541D+01 -0.557705D+00 -0.215293D+01  0.278326D+02 -0.160926D+01
      2  -0.580883D+01  0.104979D+01 -0.637356D+00 -0.472014D+02 -0.132242D+01
      3   0.399342D+01 -0.492083D+00  0.279028D+01  0.193688D+02  0.293167D+01
      4   0.986487D+00  0.269954D+01  0.589035D+01  0.345620D+01 -0.632180D+00
      5   0.165390D+01  0.310756D+00 -0.732215D+00 -0.132770D+01 -0.159828D+00
      6  -0.808082D-01 -0.219867D+01 -0.338643D+00 -0.276710D+01  0.419785D+01
                61            62            63            64            65 
      1  -0.110777D+01 -0.183538D+01  0.106421D+02  0.489254D+01 -0.362913D+01
      2   0.818340D+00  0.539484D+01  0.682482D+01 -0.899977D+01  0.747119D+00
      3   0.289432D+00 -0.355946D+01 -0.174669D+02  0.410722D+01  0.288202D+01
      4  -0.287575D+00  0.329125D+00 -0.479698D+01 -0.792175D+01  0.742203D+01
      5   0.397534D+01 -0.161602D+01  0.567927D+00  0.156693D+02 -0.162910D+01
      6  -0.328032D+01  0.348556D+01 -0.153768D+02 -0.468528D+01  0.285591D+01
                66            67            68            69            70 
      1   0.153475D+02 -0.500300D+01  0.146398D+02 -0.119984D+01  0.216988D+02
      2  -0.967192D+01  0.172296D+01 -0.670442D+01 -0.928267D+00 -0.130714D+02
      3  -0.567561D+01  0.328004D+01 -0.793539D+01  0.212811D+01 -0.862741D+01
      4  -0.356764D+01  0.171348D+02 -0.144749D+02  0.292477D+01 -0.558188D+01
      5   0.960212D+01 -0.164340D+00  0.464298D+01  0.450167D+01  0.160515D+02
      6   0.295541D+00  0.644086D-01 -0.411822D+01  0.166399D+01 -0.304354D+01
                71            72            73            74            75 
      1  -0.211679D+01  0.528479D+01 -0.167450D+01 -0.276400D-01  0.380747D+01
      2  -0.879345D+00 -0.718712D+01 -0.512765D+01  0.140926D+01  0.415473D+01
      3   0.299613D+01  0.190233D+01  0.680215D+01 -0.138162D+01 -0.796220D+01
      4   0.120742D+01  0.276816D+01 -0.604260D+01  0.435435D+01  0.359113D+01
      5   0.412118D+01 -0.587873D+01 -0.803324D+01  0.333325D+01  0.120311D+02
      6   0.276775D+01  0.182055D+01  0.437549D+01 -0.227592D+01 -0.376036D+01
                76            77            78            79            80 
      1   0.343539D+01 -0.647742D+01 -0.681893D+01  0.559166D+01 -0.718851D+01
      2  -0.571072D+00  0.116199D+01 -0.306309D+00  0.585789D+01 -0.228273D+01
      3  -0.286431D+01  0.531543D+01  0.712524D+01 -0.114495D+02  0.947124D+01
      4   0.426240D+01 -0.201785D+01 -0.362029D+01  0.484644D+01 -0.403395D+01
      5   0.342040D+01 -0.370134D+01 -0.426352D+01  0.135453D+02 -0.581073D+01
      6  -0.251923D+01  0.556237D+01  0.974678D+01 -0.427026D+01  0.986734D+01
                81            82            83            84            85 
      1  -0.252136D+02  0.566949D+01 -0.162633D+01  0.815379D+00 -0.738909D+00
      2  -0.142803D+02 -0.182244D+01  0.277681D+01 -0.418071D+00  0.268991D+01
      3   0.394939D+02 -0.384705D+01 -0.115048D+01 -0.397308D+00 -0.195100D+01
      4  -0.719648D+01  0.106683D+02  0.116862D+02 -0.788619D+01  0.107663D+02
      5  -0.187453D+02 -0.686418D+01 -0.645660D+01  0.816455D+01 -0.544773D+01
      6   0.161001D+02 -0.745588D+01 -0.667701D+01  0.650053D+01 -0.675638D+01
                86            87            88            89            90 
      1  -0.103993D+02  0.484642D+01  0.164055D+00  0.487019D+01 -0.652020D+01
      2   0.134617D+02 -0.471635D+01 -0.213322D-01 -0.443588D+01  0.271110D+00
      3  -0.306243D+01 -0.130073D+00 -0.142723D+00 -0.434312D+00  0.624909D+01
      4   0.155451D+02 -0.897327D+01 -0.849775D+01 -0.972613D+01  0.967065D+01
      5  -0.726623D+01  0.588772D+01  0.764573D+01  0.711325D+01 -0.937372D+01
      6  -0.144124D+02  0.123773D+02  0.738166D+01  0.131571D+02 -0.134864D+02
                91            92            93            94            95 
      1  -0.288676D+01  0.690486D+00  0.188058D+01  0.158786D+01 -0.319976D+02
      2   0.408052D+01  0.297038D+01 -0.658322D+00  0.196076D+01  0.467184D+02
      3  -0.119376D+01 -0.366087D+01 -0.122226D+01 -0.354861D+01 -0.147208D+02
      4   0.283828D+01  0.961322D+01  0.126345D+01  0.896999D+01  0.192412D+02
      5   0.113532D+01  0.165920D+01  0.154013D+01  0.222104D+01  0.504014D+01
      6   0.369222D+01  0.539840D-01  0.272663D-01  0.119546D+01  0.155402D+02
                96            97            98            99           100 
      1  -0.676459D+01  0.328934D+01 -0.336275D+01 -0.101474D+01  0.415113D+01
      2   0.627855D+01 -0.322747D+01  0.355983D+01  0.297802D+01  0.766407D+00
      3   0.486049D+00 -0.618679D-01 -0.197088D+00 -0.196327D+01 -0.491754D+01
      4   0.319718D+01  0.142756D+01 -0.208801D+00  0.913665D+00  0.596477D+01
      5   0.309945D+01  0.223976D+01  0.105021D+01 -0.306077D+00  0.248385D+01
      6   0.937637D+01  0.321866D+01  0.498013D+01  0.140752D+01  0.759536D+00
               101           102           103           104           105 
      1   0.534493D+01  0.252732D+01  0.989994D+01 -0.696693D+01 -0.774106D+00
      2  -0.162772D+01 -0.961029D+00  0.380816D+01  0.305555D+02  0.186539D+01
      3  -0.371721D+01 -0.156630D+01 -0.137081D+02 -0.235886D+02 -0.109129D+01
      4   0.882966D+01  0.804416D+00  0.264292D+02  0.548863D+02  0.352686D+01
      5   0.205494D+00  0.284231D+01  0.902746D+00  0.447892D+01  0.807159D+01
      6   0.165038D+00  0.131997D+00  0.400444D+00  0.303271D+00  0.659080D+01
               106           107           108           109           110 
      1   0.470112D+01 -0.976346D+00  0.394507D+00  0.825929D+02 -0.119189D+02
      2  -0.106558D+01  0.286369D+01  0.542283D+00 -0.451513D+02  0.781368D+01
      3  -0.363554D+01 -0.188735D+01 -0.936790D+00 -0.374416D+02  0.410517D+01
      4   0.348878D+01  0.711010D+01  0.546301D+01 -0.117784D+01  0.102708D+02
      5   0.657847D+01  0.532137D+01  0.207084D+00  0.250923D+02 -0.474175D+01
      6   0.220154D+01  0.617685D+01  0.140465D+01  0.107518D+01 -0.131335D+00
               111           112           113           114           115 
      1   0.181686D+02 -0.344433D+02  0.982992D+01 -0.541439D+01  0.387403D+02
      2  -0.105800D+02  0.197044D+02 -0.406497D+01  0.392448D+01 -0.216320D+02
      3  -0.758858D+01  0.147389D+02 -0.576495D+01  0.148991D+01 -0.171083D+02
      4  -0.233104D+01  0.104633D+02 -0.598111D+01  0.594369D+01 -0.740995D+00
      5   0.176227D+02 -0.853400D+01  0.712006D+01 -0.807512D+01  0.299776D+02
      6   0.201985D+01  0.149955D+01 -0.474726D+00  0.626115D+00  0.267544D+01
               116           117           118           119           120 
      1  -0.528830D+01  0.179157D+02  0.261789D+02 -0.245731D+01 -0.109785D+02
      2   0.455846D+01 -0.142687D+02 -0.179310D+02  0.179736D+01  0.866668D+01
      3   0.729838D+00 -0.364703D+01 -0.824788D+01  0.659955D+00  0.231180D+01
      4   0.871091D+01 -0.259733D+01  0.319445D+01  0.324704D+01 -0.239557D+01
      5  -0.601284D+01  0.129838D+02 -0.150383D+02 -0.355506D+00  0.185656D+02
      6   0.117631D+01  0.194063D+00 -0.301225D+01 -0.660890D+00  0.306133D+01
               121           122           123           124           125 
      1  -0.133965D+02  0.123477D+01  0.228456D+01 -0.246023D+02 -0.169200D+01
      2   0.965063D+01 -0.539178D+00 -0.372694D+01  0.217341D+02 -0.120208D+01
      3   0.374585D+01 -0.695594D+00  0.144238D+01  0.286816D+01  0.289408D+01
      4   0.536461D+01  0.135031D+01 -0.557636D+01 -0.888106D+01 -0.947783D+01
      5   0.416674D+01 -0.565582D+01 -0.653641D+01  0.413030D+02 -0.222441D+01
      6  -0.169784D+01  0.217714D-01  0.300960D+01  0.758862D+01  0.419151D+01
               126           127           128           129           130 
      1   0.144736D+02  0.211594D+02 -0.608394D+01 -0.886355D+01 -0.476816D+01
      2  -0.250315D+02 -0.868316D+01 -0.389310D+00  0.454240D+01 -0.170896D+01
      3   0.105579D+02 -0.124762D+02  0.647325D+01  0.432116D+01  0.647712D+01
      4   0.195203D+01 -0.222939D+02  0.171054D+02  0.965851D+01  0.151576D+02
      5  -0.529039D+02 -0.167217D+02  0.669819D+01  0.125805D+02  0.542452D+01
      6  -0.110992D+02  0.876510D+01 -0.449812D+01 -0.690445D+01 -0.442320D+01
               131           132           133           134           135 
      1   0.151627D+01  0.329708D+00 -0.122771D+02  0.637833D+00  0.343225D+01
      2   0.411352D+01  0.202663D+01  0.691783D+01  0.202983D+01 -0.397391D+01
      3  -0.562980D+01 -0.235634D+01  0.535928D+01 -0.266767D+01  0.541667D+00
      4  -0.135129D+02 -0.725744D+01  0.143427D+02 -0.119806D+02 -0.134932D+02
      5  -0.659352D+01 -0.649502D+01  0.178123D+02 -0.110099D+02 -0.151150D+02
      6   0.586810D+01  0.710557D+01 -0.107613D+02  0.103704D+02  0.923692D+01
               136           137           138           139           140 
      1   0.581509D+01 -0.455106D+01  0.295415D+01 -0.129045D+01 -0.463370D+01
      2  -0.202926D+01  0.519567D+00 -0.209454D+01 -0.277038D+01  0.917039D+01
      3  -0.378583D+01  0.403149D+01 -0.859610D+00  0.406083D+01 -0.453669D+01
      4  -0.129957D+02  0.125215D+02 -0.552104D+01  0.136313D+02 -0.158032D+02
      5   0.735596D+01 -0.450663D+01  0.931115D+01 -0.492683D+01  0.927562D+01
      6  -0.587751D+01  0.424053D+01 -0.534076D+01  0.658237D+01 -0.130203D+02
               141           142           143           144           145 
      1   0.283653D+01  0.431848D+01  0.526602D+01 -0.239975D+01  0.508390D+00
      2  -0.418172D+01 -0.227506D+01 -0.655398D+01 -0.291547D+01 -0.371100D+01
      3   0.134519D+01 -0.204342D+01  0.128797D+01  0.531522D+01  0.320261D+01
      4   0.976544D+01 -0.143911D+02  0.188820D+02 -0.165076D+02  0.444504D+00
      5  -0.822927D+01  0.171506D+02 -0.148388D+02  0.201692D+02  0.119457D+01
      6   0.124831D+02 -0.143118D+02  0.197814D+02 -0.211537D+02  0.683184D+00
               146           147           148           149           150 
      1  -0.997376D+00 -0.940207D+00  0.170653D+00 -0.395729D+01 -0.798455D+00
      2   0.178859D+01 -0.658168D+00  0.139009D+01  0.270390D+01  0.398769D+01
      3  -0.791210D+00  0.159838D+01 -0.156075D+01  0.125338D+01 -0.318923D+01
      4   0.229466D+01  0.167688D+01 -0.539039D-01  0.138095D+00  0.179674D+00
      5  -0.528002D+00  0.537925D+01 -0.602551D+00  0.827009D+00 -0.253377D+00
      6   0.148273D+01  0.147351D+01  0.958647D+00  0.153282D+01  0.242756D+01
               151           152           153           154           155 
      1  -0.688671D+00 -0.703237D+01 -0.188231D+02 -0.147192D+01 -0.315623D+01
      2  -0.144696D+01  0.522603D+01 -0.887811D+01  0.614183D+01  0.464011D+01
      3   0.213563D+01  0.180634D+01  0.277012D+02 -0.466991D+01 -0.148388D+01
      4   0.354339D+01  0.391777D+00  0.235891D+01  0.803882D-01  0.962642D+01
      5   0.394921D+01 -0.644751D+00 -0.687189D+00  0.173763D+00  0.840663D+00
      6   0.111673D+01  0.859831D+01  0.221787D+02 -0.550751D+00  0.378878D+00
               156           157           158           159           160 
      1  -0.359759D+00 -0.164984D+01 -0.455604D+02 -0.252741D+01  0.598684D-01
      2  -0.165764D-01  0.162546D+01  0.762243D+02  0.257956D+01  0.115589D+00
      3   0.376336D+00  0.243815D-01 -0.306639D+02 -0.521425D-01 -0.175457D+00
      4  -0.229307D+00  0.777200D+01 -0.254582D+01 -0.933042D-01 -0.936987D+00
      5   0.141879D+01  0.290416D+00  0.706457D+00 -0.251619D+00  0.528521D+00
      6   0.831010D+00  0.246875D+00  0.651379D+01  0.801394D+01  0.689751D+00
               161           162           163           164           165 
      1   0.261470D+01 -0.578229D+01  0.202310D+02 -0.219633D+01 -0.549143D+01
      2  -0.508887D+01  0.558834D+01 -0.364123D+01  0.974162D+01  0.815545D+01
      3   0.247416D+01  0.193952D+00 -0.165897D+02 -0.754529D+01 -0.266401D+01
      4   0.676748D+00 -0.162919D-01 -0.537903D+01 -0.978964D+01  0.674745D+00
      5  -0.485613D+00  0.469505D-02 -0.238331D+01 -0.114930D+01 -0.147257D+02
      6   0.887214D+01  0.855344D+00  0.210308D+01 -0.109543D+02 -0.343299D+01
               166           167           168           169           170 
      1  -0.195988D+01 -0.154961D+01 -0.299807D+00 -0.734475D+01  0.124234D+01
      2   0.142545D+02 -0.560426D+01  0.148755D+02  0.101660D+02  0.106036D+02
      3  -0.122947D+02  0.715387D+01 -0.145757D+02 -0.282121D+01 -0.118459D+02
      4  -0.169453D+02  0.224606D+02 -0.122237D+02  0.304016D+00 -0.702406D+01
      5  -0.351843D+01 -0.186969D+02 -0.133639D+02 -0.202055D+02 -0.105699D+02
      6  -0.151296D+02  0.164875D+02 -0.920674D+01 -0.456213D+01 -0.536696D+01
               171           172           173           174           175 
      1  -0.111350D+02 -0.297303D+01 -0.985853D+01 -0.231583D+02 -0.154539D+02
      2   0.841858D+01 -0.209521D+01  0.914568D+01  0.106136D+02  0.154765D+02
      3   0.271644D+01  0.506824D+01  0.712848D+00  0.125446D+02 -0.225613D-01
      4  -0.789523D+01 -0.888149D+01 -0.249125D+02 -0.626880D+01 -0.410525D+02
      5  -0.744495D+01 -0.253134D+02 -0.641632D+01 -0.878564D+01 -0.101327D+02
      6  -0.128902D+02  0.239236D+00  0.190329D+01 -0.477006D+00  0.318418D+01
               176           177           178           179           180 
      1  -0.243126D+02 -0.993226D+01 -0.301897D+02 -0.989890D+01 -0.751108D+01
      2   0.399697D+01  0.217281D+01  0.109830D+02  0.173449D+01  0.130237D+02
      3   0.203156D+02  0.775945D+01  0.192066D+02  0.816442D+01 -0.551257D+01
      4   0.340869D+02 -0.285470D+01 -0.100219D+02 -0.427884D+01 -0.184198D+02
      5  -0.123295D+01 -0.181396D+02 -0.150217D+02 -0.178590D+02  0.287460D+02
      6  -0.412577D+01 -0.757752D+00 -0.158108D+01  0.147229D+01  0.153770D+01
               181           182           183           184           185 
      1  -0.134975D+02 -0.233276D+01  0.110556D+02 -0.583934D+00 -0.328784D+01
      2   0.424116D+01 -0.355648D-01  0.148209D+01 -0.128992D+01  0.302894D+01
      3   0.925639D+01  0.236832D+01 -0.125377D+02  0.187386D+01  0.258900D+00
      4   0.769645D+01  0.119486D+01 -0.798433D+00  0.334847D+01 -0.122307D+01
      5  -0.122454D+02  0.287320D+00  0.230578D+01  0.128834D+00  0.381869D+00
      6  -0.166516D+01 -0.423247D+01  0.537386D+01 -0.134375D+01 -0.229673D+01
               186           187           188           189           190 
      1   0.171578D+01  0.673312D+01  0.155361D+01 -0.637878D+01  0.713281D+01
      2  -0.254842D+01  0.484245D+00 -0.126612D+01 -0.276033D+01 -0.116302D+02
      3   0.832646D+00 -0.721736D+01 -0.287495D+00  0.913911D+01  0.449740D+01
      4   0.802785D+00 -0.109679D+01 -0.302639D+00  0.247468D+01  0.405520D+01
      5   0.237264D+01  0.640406D+01  0.162863D+01 -0.286038D+01  0.185182D+02
      6   0.334539D+01  0.281793D+01  0.293155D+01 -0.150381D+01  0.327972D+01
               191           192           193           194           195 
      1   0.304522D+01  0.274367D+01  0.488614D+01 -0.394268D+00 -0.325197D+01
      2  -0.494886D+01 -0.120258D+02 -0.918684D+01 -0.265627D+01 -0.112546D+02
      3   0.190364D+01  0.928209D+01  0.430069D+01  0.305054D+01  0.145066D+02
      4   0.627533D+01  0.233165D+01  0.769866D+01  0.541853D+01  0.749477D+01
      5   0.531187D+01  0.206273D+02  0.129952D+02  0.103615D+02  0.174549D+02
      6   0.585618D+01  0.273506D+01  0.737411D+01  0.745205D+01  0.959984D+01
               196           197           198           199           200 
      1   0.270688D+01 -0.151395D+01 -0.641877D+01  0.399584D+01 -0.296653D+01
      2  -0.120565D+02 -0.613737D+01 -0.197345D+02 -0.171245D+00 -0.323276D+01
      3   0.934961D+01  0.765132D+01  0.261533D+02 -0.382460D+01  0.619928D+01
      4   0.260124D+01  0.555950D+01  0.561562D+01 -0.114563D+02  0.146331D+02
      5   0.197167D+02  0.796834D+01  0.269967D+02  0.813278D+01 -0.720294D+01
      6   0.383902D+01  0.775712D+01  0.756863D+01 -0.640793D+01  0.899630D+01
               201           202           203           204           205 
      1   0.188449D-01 -0.271714D+01 -0.108317D+02  0.683027D+01 -0.840175D+00
      2  -0.193915D+01 -0.515876D+01  0.228705D+02 -0.450993D+01 -0.156031D+01
      3   0.192031D+01  0.787590D+01 -0.120388D+02 -0.232034D+01  0.240049D+01
      4  -0.487369D+01  0.183805D+02 -0.312378D+02  0.109039D+02 -0.155076D+01
      5   0.872836D+01 -0.944017D+01  0.144778D+02 -0.933135D+01  0.585216D+01
      6  -0.422837D+01  0.115879D+02 -0.276982D+02  0.158519D+02 -0.303581D+01
               206           207           208           209           210 
      1   0.357652D+01 -0.209943D+01  0.458497D+01  0.336628D+01 -0.560247D+01
      2  -0.873684D+00  0.105871D+00 -0.475338D+01 -0.230083D+01  0.451598D+01
      3  -0.270284D+01  0.199356D+01  0.168406D+00 -0.106545D+01  0.108650D+01
      4   0.389421D+01 -0.430166D+01  0.330430D+01  0.387045D+01 -0.108028D+01
      5  -0.430197D+01  0.516671D+01 -0.678658D+01 -0.158070D+01  0.105948D+02
      6   0.950440D+01 -0.531423D+01 -0.815859D+00 -0.379379D+00  0.211916D+00
               211           212           213           214           215 
      1   0.738913D+01  0.210354D+01  0.645893D+00 -0.134368D+02  0.133893D+01
      2  -0.531163D+01 -0.120293D+01  0.284442D+01  0.120743D+02  0.218849D+01
      3  -0.207750D+01 -0.900608D+00 -0.349032D+01  0.136248D+01 -0.352742D+01
      4   0.797406D+01  0.246467D+01 -0.669775D+01 -0.171933D+01 -0.896150D+01
      5  -0.466915D+01 -0.646335D+01  0.125784D+02  0.227525D+02  0.951100D+01
      6  -0.168394D+01 -0.224346D+01  0.465559D+01  0.540496D+00  0.484183D+01
               216           217           218           219           220 
      1   0.125083D+01  0.209732D+02 -0.124122D+02  0.139868D+01 -0.255778D+02
      2  -0.181492D+02 -0.611860D+01  0.261736D+01 -0.489117D+00  0.426384D+01
      3   0.168984D+02 -0.148546D+02  0.979481D+01 -0.909558D+00  0.213139D+02
      4   0.973547D+01 -0.179484D+02  0.209393D+02  0.148579D+01  0.384994D+02
      5  -0.457498D+02 -0.293590D+00  0.235662D+01  0.485387D+01  0.592278D+01
      6  -0.173141D+01  0.178575D+01 -0.191345D+01 -0.883905D+00 -0.401861D+01
               221           222           223           224           225 
      1   0.126515D+02  0.223058D+01  0.534680D+01  0.605821D+00  0.285285D+01
      2   0.104224D+02 -0.164772D+01 -0.164497D+01 -0.787870D+00 -0.131154D+01
      3  -0.230739D+02 -0.582867D+00 -0.370183D+01  0.182048D+00 -0.154131D+01
      4  -0.522375D+02 -0.138905D+01  0.298825D+00  0.118848D+01 -0.433282D+01
      5  -0.259612D+01 -0.848377D+01  0.817451D+01 -0.477395D+01 -0.253929D+01
      6   0.637563D+01  0.564675D+01 -0.258316D+01  0.466605D+01  0.831586D-01
               226           227           228           229           230 
      1   0.542618D+02  0.147402D+02  0.153718D+02  0.308407D+02  0.141425D+02
      2  -0.263736D+02 -0.717631D+01 -0.753382D+01 -0.146711D+02 -0.337059D+01
      3  -0.278881D+02 -0.756384D+01 -0.783798D+01 -0.161696D+02 -0.107719D+02
      4   0.171617D+02  0.154935D+02  0.614737D+01  0.242247D+02  0.131099D+02
      5   0.159563D+02  0.558830D+01  0.133290D+02  0.874765D+01  0.660309D+01
      6   0.731464D+00 -0.173296D+00  0.211894D+00  0.649757D+00  0.173757D+01
               231           232           233           234 
      1   0.701250D+01  0.332888D+02  0.686500D+01  0.118269D+02
      2  -0.268454D+01 -0.167291D+02 -0.283359D+01 -0.888755D+01
      3  -0.432797D+01 -0.165598D+02 -0.403141D+01 -0.293935D+01
      4   0.766587D+01  0.103317D+02  0.106382D+02  0.860704D+01
      5   0.115837D+02  0.189971D+02  0.828682D+01  0.139187D+02
      6   0.212330D+01  0.155140D+01  0.161027D+01  0.155459D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117015D+03      0.173399D+02      0.192932D+02
   aniso      0.409031D+02      0.606121D+01      0.674400D+01
   xx         0.142588D+03      0.211294D+02      0.235096D+02
   yx        -0.524962D+01     -0.777914D+00     -0.865546D+00
   yy         0.109719D+03      0.162587D+02      0.180902D+02
   zx        -0.274018D+01     -0.406052D+00     -0.451794D+00
   zy         0.141617D+01      0.209854D+00      0.233494D+00
   zz         0.987388D+02      0.146316D+02      0.162798D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117015D+03      0.173399D+02      0.192932D+02
   aniso      0.409031D+02      0.606121D+01      0.674400D+01
   xx         0.128053D+03      0.189754D+02      0.211130D+02
   yx         0.117952D+02      0.174786D+01      0.194476D+01
   yy         0.103392D+03      0.153211D+02      0.170470D+02
   zx        -0.155462D+02     -0.230371D+01     -0.256322D+01
   zy        -0.445241D+01     -0.659779D+00     -0.734103D+00
   zz         0.119601D+03      0.177231D+02      0.197196D+02

 ----------------------------------------------------------------------
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 THERE ONCE WAS A GIRL NAMED IRENE,
 WHO LIVED ON DISTILLED KEROSENE,
      BUT SHE STARTED ABSORBIN'
      A NEW HYDROCARBON,
 AND SINCE THEN HAS NEVER BENZENE.
 Job cpu time:       0 days  4 hours  9 minutes 47.0 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 39.7 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:09:55 2021.
